 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_B3LYPDBJ_def2SVPD.in
 Output=12_L-valine_conformer06_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-24947.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     24963.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:32:01 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:32:02 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Thu Aug 12 20:32:02 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0284501528 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.7266068490 Hartrees.
 Leave Link  301 at Thu Aug 12 20:32:02 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.78D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:32:03 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:32:03 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:32:03 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.134654289207    
 DIIS: error= 2.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.134654289207     IErMin= 1 ErrMin= 2.69D-03
 ErrMax= 2.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-03 BMatP= 8.51D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.241 Goal=   None    Shift=    0.000
 GapD=    0.241 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.93D-03 MaxDP=3.14D-01              OVMax= 1.80D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.85D-03    CP:  1.06D+00
 E= -402.142159695558     Delta-E=       -0.007505406351 Rises=F Damp=F
 DIIS: error= 1.15D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.142159695558     IErMin= 2 ErrMin= 1.15D-03
 ErrMax= 1.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-04 BMatP= 8.51D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.15D-02
 Coeff-Com:  0.524D-01 0.948D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.518D-01 0.948D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.81D-04 MaxDP=7.95D-03 DE=-7.51D-03 OVMax= 6.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.27D-04    CP:  1.06D+00  1.03D+00
 E= -402.142027393865     Delta-E=        0.000132301693 Rises=F Damp=F
 DIIS: error= 1.39D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.142159695558     IErMin= 2 ErrMin= 1.15D-03
 ErrMax= 1.39D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-04 BMatP= 3.87D-04
 IDIUse=3 WtCom= 2.11D-01 WtEn= 7.89D-01
 Coeff-Com: -0.152D-01 0.564D+00 0.451D+00
 Coeff-En:   0.000D+00 0.579D+00 0.421D+00
 Coeff:     -0.321D-02 0.575D+00 0.428D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=1.32D-02 DE= 1.32D-04 OVMax= 4.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.02D-04    CP:  1.06D+00  1.04D+00  6.59D-01
 E= -402.142474334474     Delta-E=       -0.000446940609 Rises=F Damp=F
 DIIS: error= 2.77D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.142474334474     IErMin= 4 ErrMin= 2.77D-04
 ErrMax= 2.77D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-05 BMatP= 3.87D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.77D-03
 Coeff-Com: -0.101D-01 0.286D+00 0.233D+00 0.491D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.101D-01 0.286D+00 0.233D+00 0.492D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.96D-05 MaxDP=2.25D-03 DE=-4.47D-04 OVMax= 8.82D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.43D-05    CP:  1.06D+00  1.04D+00  6.30D-01  1.08D+00
 E= -402.142483272811     Delta-E=       -0.000008938337 Rises=F Damp=F
 DIIS: error= 6.07D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.142483272811     IErMin= 5 ErrMin= 6.07D-05
 ErrMax= 6.07D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-06 BMatP= 1.14D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.365D-02 0.821D-01 0.674D-01 0.264D+00 0.590D+00
 Coeff:     -0.365D-02 0.821D-01 0.674D-01 0.264D+00 0.590D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=7.70D-06 MaxDP=3.57D-04 DE=-8.94D-06 OVMax= 4.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.33D-06    CP:  1.06D+00  1.04D+00  6.31D-01  1.08D+00  9.36D-01
 E= -402.142483942958     Delta-E=       -0.000000670147 Rises=F Damp=F
 DIIS: error= 2.99D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.142483942958     IErMin= 6 ErrMin= 2.99D-05
 ErrMax= 2.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-07 BMatP= 1.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.531D-03 0.138D-02 0.137D-02 0.865D-01 0.419D+00 0.493D+00
 Coeff:     -0.531D-03 0.138D-02 0.137D-02 0.865D-01 0.419D+00 0.493D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=4.15D-06 MaxDP=2.19D-04 DE=-6.70D-07 OVMax= 1.93D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.50D-06    CP:  1.06D+00  1.04D+00  6.33D-01  1.10D+00  9.31D-01
                    CP:  7.11D-01
 E= -402.142484314411     Delta-E=       -0.000000371453 Rises=F Damp=F
 DIIS: error= 3.30D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.142484314411     IErMin= 7 ErrMin= 3.30D-06
 ErrMax= 3.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.17D-09 BMatP= 4.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.658D-04-0.321D-02-0.254D-02 0.248D-01 0.158D+00 0.217D+00
 Coeff-Com:  0.606D+00
 Coeff:     -0.658D-04-0.321D-02-0.254D-02 0.248D-01 0.158D+00 0.217D+00
 Coeff:      0.606D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.05D-06 MaxDP=4.58D-05 DE=-3.71D-07 OVMax= 1.75D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.05D-07    CP:  1.06D+00  1.04D+00  6.34D-01  1.10D+00  9.43D-01
                    CP:  6.87D-01  8.69D-01
 E= -402.142484320425     Delta-E=       -0.000000006013 Rises=F Damp=F
 DIIS: error= 9.75D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.142484320425     IErMin= 8 ErrMin= 9.75D-07
 ErrMax= 9.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.78D-10 BMatP= 7.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.626D-05-0.141D-02-0.116D-02 0.387D-02 0.368D-01 0.573D-01
 Coeff-Com:  0.277D+00 0.627D+00
 Coeff:      0.626D-05-0.141D-02-0.116D-02 0.387D-02 0.368D-01 0.573D-01
 Coeff:      0.277D+00 0.627D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=1.20D-05 DE=-6.01D-09 OVMax= 6.45D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.90D-07    CP:  1.06D+00  1.04D+00  6.34D-01  1.10D+00  9.44D-01
                    CP:  6.94D-01  8.65D-01  8.73D-01
 E= -402.142484321011     Delta-E=       -0.000000000586 Rises=F Damp=F
 DIIS: error= 2.75D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.142484321011     IErMin= 9 ErrMin= 2.75D-07
 ErrMax= 2.75D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-11 BMatP= 6.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-04-0.309D-03-0.259D-03-0.881D-03 0.315D-03 0.274D-02
 Coeff-Com:  0.556D-01 0.267D+00 0.676D+00
 Coeff:      0.110D-04-0.309D-03-0.259D-03-0.881D-03 0.315D-03 0.274D-02
 Coeff:      0.556D-01 0.267D+00 0.676D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.52D-07 MaxDP=2.02D-05 DE=-5.86D-10 OVMax= 2.23D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.61D-08    CP:  1.06D+00  1.04D+00  6.34D-01  1.10D+00  9.45D-01
                    CP:  6.99D-01  8.91D-01  9.05D-01  6.79D-01
 E= -402.142484321080     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 7.77D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.142484321080     IErMin=10 ErrMin= 7.77D-08
 ErrMax= 7.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.68D-12 BMatP= 5.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.405D-05-0.655D-04-0.545D-04-0.583D-03-0.146D-02-0.165D-02
 Coeff-Com:  0.125D-01 0.934D-01 0.323D+00 0.575D+00
 Coeff:      0.405D-05-0.655D-04-0.545D-04-0.583D-03-0.146D-02-0.165D-02
 Coeff:      0.125D-01 0.934D-01 0.323D+00 0.575D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=2.14D-08 MaxDP=1.39D-06 DE=-6.90D-11 OVMax= 5.89D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.06D+00  1.04D+00  6.34D-01  1.10D+00  9.45D-01
                    CP:  6.98D-01  8.90D-01  9.09D-01  7.07D-01  8.62D-01
 E= -402.142484321075     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.14D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.142484321080     IErMin=11 ErrMin= 2.14D-08
 ErrMax= 2.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.59D-13 BMatP= 4.68D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.917D-06-0.262D-05-0.120D-05-0.190D-03-0.649D-03-0.111D-02
 Coeff-Com:  0.648D-04 0.153D-01 0.822D-01 0.264D+00 0.641D+00
 Coeff:      0.917D-06-0.262D-05-0.120D-05-0.190D-03-0.649D-03-0.111D-02
 Coeff:      0.648D-04 0.153D-01 0.822D-01 0.264D+00 0.641D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=9.73D-09 MaxDP=1.17D-06 DE= 4.66D-12 OVMax= 1.52D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.43D-09    CP:  1.06D+00  1.04D+00  6.34D-01  1.10D+00  9.45D-01
                    CP:  6.99D-01  8.92D-01  9.11D-01  7.06D-01  9.23D-01
                    CP:  9.33D-01
 E= -402.142484321064     Delta-E=        0.000000000012 Rises=F Damp=F
 DIIS: error= 4.65D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -402.142484321080     IErMin=12 ErrMin= 4.65D-09
 ErrMax= 4.65D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 3.59D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.406D-07 0.424D-05 0.422D-05-0.329D-04-0.137D-03-0.325D-03
 Coeff-Com: -0.103D-02-0.152D-02 0.660D-02 0.565D-01 0.236D+00 0.704D+00
 Coeff:      0.406D-07 0.424D-05 0.422D-05-0.329D-04-0.137D-03-0.325D-03
 Coeff:     -0.103D-02-0.152D-02 0.660D-02 0.565D-01 0.236D+00 0.704D+00
 Gap=     0.238 Goal=   None    Shift=    0.000
 RMSDP=1.59D-09 MaxDP=5.06D-08 DE= 1.17D-11 OVMax= 4.44D-08

 SCF Done:  E(RB3LYP) =  -402.142484321     A.U. after   12 cycles
            NFock= 12  Conv=0.16D-08     -V/T= 2.0104
 KE= 3.980154228621D+02 PE=-1.752321261651D+03 EE= 5.444367476186D+02
 Leave Link  502 at Thu Aug 12 20:32:50 2021, MaxMem=  5368709120 cpu:             370.3 elap:              46.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.34035350D+02

 Leave Link  801 at Thu Aug 12 20:32:50 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 3.02D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 3.09D-01 7.55D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.98D-02 2.98D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 2.48D-03 9.91D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 9.25D-05 2.10D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.70D-06 1.85D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 2.52D-08 2.38D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 3.57D-10 4.03D-06.
      8 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.26D-12 3.13D-07.
      4 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.58D-14 1.98D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.885177D+02
      2  0.740755D+00  0.765263D+02
      3 -0.253282D+01  0.192979D+01  0.742640D+02
 Isotropic polarizability for W=    0.088559       79.77 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.672023D+02 -0.189782D+02  0.528171D+01
      2  -0.378190D+02  0.207052D+02 -0.111265D+02
      3  -0.293832D+02 -0.172706D+01  0.584484D+01
      4  -0.232561D+02  0.380137D+02 -0.188206D+02
      5   0.114622D+02 -0.218849D+02  0.622006D+02
      6  -0.509091D+01  0.921309D+00 -0.967288D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.762727D+00 -0.135503D+01  0.163007D+01
      2   0.681351D+01 -0.749330D+01  0.328634D+02
      3   0.525307D+01 -0.252764D+02  0.853235D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.306430D+01  0.120479D+02  0.794581D+01
      2  -0.618045D+01 -0.137296D+02  0.915839D+02
      3  -0.427790D+01 -0.758327D+02  0.167939D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.246546D+00 -0.631196D+00 -0.126230D+01
      2  -0.631196D+00  0.452403D+00  0.721444D-01
      3  -0.126230D+01  0.721444D-01  0.704751D-01
 OR G Eigenvalues:    -1.4593     0.3073     1.4284  Iso=    -0.0921
 Eigenvectors:
   (1)   0.756479   0.226612   0.613503
   (2)   0.141347   0.859235  -0.491667
   (3)   0.638561  -0.458652  -0.617963
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0921 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -39.87 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 1.09D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.60D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 3.07D-02 4.06D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 7.28D-04 3.19D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 6.17D-06 3.60D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 5.03D-08 2.05D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.90D-10 1.57D-06.
     30 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 3.60D-13 6.70D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.95D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 3.95D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885177D+02  0.740755D+00 -0.253282D+01
      2   0.740755D+00  0.765263D+02  0.192979D+01
      3  -0.253282D+01  0.192979D+01  0.742640D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.762727D+00 -0.135503D+01  0.163007D+01
      2   0.681351D+01 -0.749330D+01  0.328634D+02
      3   0.525307D+01 -0.252764D+02  0.853235D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.672023D+02 -0.189782D+02  0.528171D+01
      2  -0.378190D+02  0.207052D+02 -0.111265D+02
      3  -0.293832D+02 -0.172706D+01  0.584484D+01
      4  -0.232561D+02  0.380137D+02 -0.188206D+02
      5   0.114622D+02 -0.218849D+02  0.622006D+02
      6  -0.509091D+01  0.921309D+00 -0.967288D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.305749D+00  0.295229D+01 -0.332761D+01  0.496757D+01 -0.364702D+01
      2   0.295229D+01 -0.286768D+01  0.108862D+00 -0.364702D+01 -0.320358D+01
      3  -0.332761D+01  0.108862D+00  0.680919D+00  0.171664D-01 -0.202072D+01
                 6             7             8             9            10 
      1   0.171664D-01 -0.470651D+01  0.463510D+00 -0.710143D+00  0.225683D+01
      2  -0.202072D+01  0.463510D+00 -0.206119D+01  0.166373D+00 -0.245011D+01
      3   0.584898D+00 -0.710143D+00  0.166373D+00  0.766619D+01  0.408091D+01
                11            12            13            14            15 
      1  -0.245011D+01  0.408091D+01 -0.690471D+01  0.288511D+01  0.147124D+00
      2   0.330586D+01  0.265736D+00  0.288511D+01  0.438349D+01  0.273907D+01
      3   0.265736D+00 -0.418247D+00  0.147124D+00  0.273907D+01  0.538961D+00
                16            17            18            19            20 
      1   0.609432D+01  0.137866D+00  0.170630D+00 -0.297856D+01  0.337915D+01
      2   0.137866D+00  0.277100D+01  0.123518D+01  0.337915D+01 -0.103053D+01
      3   0.170630D+00  0.123518D+01 -0.542422D+01 -0.254105D+01  0.802226D-01
                21            22            23            24            25 
      1  -0.254105D+01  0.722474D+01 -0.259219D+00 -0.109107D+00 -0.237401D+01
      2   0.802226D-01 -0.259219D+00 -0.103201D+01 -0.121888D+01  0.389699D+00
      3  -0.424805D+00 -0.109107D+00 -0.121888D+01  0.131887D+01 -0.846414D+00
                26            27            28            29            30 
      1   0.389699D+00 -0.846414D+00 -0.167780D+01 -0.161238D+01  0.155744D+01
      2  -0.101183D+01  0.436849D-01 -0.161238D+01  0.107527D+01  0.177473D+01
      3   0.436849D-01  0.646318D+01  0.155744D+01  0.177473D+01  0.561852D+00
                31            32            33            34            35 
      1   0.309305D+01  0.130832D+01  0.161827D+01  0.176226D+01  0.241381D+01
      2   0.130832D+01  0.301743D+01  0.177346D+01  0.241381D+01  0.224087D+01
      3   0.161827D+01  0.177346D+01  0.933266D+00  0.379029D+00 -0.334020D-01
                36            37            38            39            40 
      1   0.379029D+00  0.534983D+01  0.312590D+01 -0.120248D+01  0.482584D+01
      2  -0.334020D-01  0.312590D+01  0.379237D-01 -0.875338D+00 -0.906275D+00
      3  -0.957406D-01 -0.120248D+01 -0.875338D+00  0.740126D+00 -0.165027D+01
                41            42            43            44            45 
      1  -0.906275D+00 -0.165027D+01 -0.175656D+00 -0.134852D+01 -0.498810D+00
      2   0.310684D+01  0.787355D+00 -0.134852D+01  0.398237D+00  0.138657D+01
      3   0.787355D+00  0.152359D+01 -0.498810D+00  0.138657D+01  0.272200D+01
                46            47            48            49            50 
      1   0.137391D+01  0.351867D+01 -0.463087D+01  0.386607D+01 -0.325822D+01
      2   0.351867D+01 -0.309590D+01  0.141676D+00 -0.325822D+01 -0.180300D+01
      3  -0.463087D+01  0.141676D+00  0.449494D+00  0.116556D+00 -0.374890D+01
                51            52            53            54            55 
      1   0.116556D+00 -0.363471D+01 -0.114057D+00  0.303789D+00  0.304427D+01
      2  -0.374890D+01 -0.114057D+00 -0.291253D+01 -0.649699D+00 -0.153536D+01
      3   0.222776D+00  0.303789D+00 -0.649699D+00  0.354269D+01  0.113559D+01
                56            57            58            59            60 
      1  -0.153536D+01  0.113559D+01 -0.133943D+01  0.309879D+01 -0.665902D+00
      2   0.430353D+01 -0.814030D+00  0.309879D+01  0.191281D+01  0.114484D+01
      3  -0.814030D+00  0.207092D+01 -0.665902D+00  0.114484D+01 -0.121712D+01
                61            62            63            64            65 
      1   0.140809D+01 -0.109303D+01  0.220856D+01 -0.330747D+01 -0.301761D+01
      2  -0.109303D+01  0.117781D+01 -0.933920D+00 -0.301761D+01 -0.271270D+01
      3   0.220856D+01 -0.933920D+00 -0.355896D+01 -0.196567D+01 -0.133753D+01
                66            67            68            69            70 
      1  -0.196567D+01 -0.634448D+01 -0.316028D+01 -0.113304D+01 -0.307381D+01
      2  -0.133753D+01 -0.316028D+01 -0.939101D+01 -0.278038D+01 -0.144486D+01
      3  -0.131508D+01 -0.113304D+01 -0.278038D+01 -0.280997D+01 -0.180842D+01
                71            72            73            74            75 
      1  -0.144486D+01 -0.180842D+01  0.585564D+00 -0.396103D+00 -0.882661D+00
      2  -0.273110D+01 -0.281061D+01 -0.396103D+00  0.230392D+00 -0.102432D+00
      3  -0.281061D+01 -0.381602D+01 -0.882661D+00 -0.102432D+00  0.266109D+00
                76            77            78            79            80 
      1  -0.119951D+01  0.149733D+00  0.213520D-01 -0.149007D+01 -0.128825D+00
      2   0.149733D+00  0.544080D+00 -0.108227D+01 -0.128825D+00 -0.144391D+01
      3   0.213520D-01 -0.108227D+01 -0.429725D-01  0.232169D+00  0.536227D+00
                81            82            83            84            85 
      1   0.232169D+00 -0.128131D+01 -0.790078D+00 -0.988788D+00 -0.110115D+01
      2   0.536227D+00 -0.790078D+00 -0.105895D+01 -0.389577D-01 -0.901321D+00
      3  -0.865813D+01 -0.988788D+00 -0.389577D-01 -0.274552D+00 -0.739382D-01
                86            87            88            89            90 
      1  -0.901321D+00 -0.739382D-01 -0.145000D+01 -0.112175D+00 -0.122932D+00
      2  -0.703255D+01 -0.171310D+01 -0.112175D+00 -0.173080D+01 -0.156519D+01
      3  -0.171310D+01 -0.183790D+01 -0.122932D+00 -0.156519D+01 -0.643853D+00
                91            92            93            94            95 
      1  -0.937264D+01 -0.950721D+00  0.282647D+01 -0.407127D+01 -0.155606D+01
      2  -0.950721D+00 -0.140494D+01  0.119108D+00 -0.155606D+01 -0.649213D+00
      3   0.282647D+01  0.119108D+00 -0.191811D+01  0.141153D+01  0.584057D+00
                96            97            98            99           100 
      1   0.141153D+01  0.187178D+01  0.260933D+00 -0.151585D+01 -0.180092D+01
      2   0.584057D+00  0.260933D+00  0.518011D+00 -0.688522D-01  0.253141D+01
      3  -0.882759D+00 -0.151585D+01 -0.688522D-01  0.139086D+01 -0.110241D+01
               101           102           103           104           105 
      1   0.253141D+01 -0.110241D+01  0.219916D+01 -0.279424D+01  0.920916D+00
      2  -0.336442D+01  0.114545D+01 -0.279424D+01  0.534223D+01 -0.158116D+01
      3   0.114545D+01 -0.104157D+01  0.920916D+00 -0.158116D+01  0.130437D+01
               106           107           108           109           110 
      1  -0.174481D+01  0.149675D+01 -0.123105D+01 -0.137660D+00  0.544242D+00
      2   0.149675D+01 -0.267853D+01  0.174265D+01  0.544242D+00 -0.258037D+00
      3  -0.123105D+01  0.174265D+01 -0.152607D+01  0.292529D+00 -0.317909D+00
               111           112           113           114           115 
      1   0.292529D+00  0.357643D+00 -0.174481D+00 -0.325052D+00  0.961379D+00
      2  -0.317909D+00 -0.174481D+00  0.111116D+01  0.970878D+00 -0.545584D+00
      3  -0.704568D+00 -0.325052D+00  0.970878D+00  0.852925D+00 -0.664538D+00
               116           117           118           119           120 
      1  -0.545584D+00 -0.664538D+00  0.955162D+00  0.650280D+00  0.120691D+01
      2   0.218207D+01  0.151255D+01  0.650280D+00  0.132283D+01  0.519428D+00
      3   0.151255D+01  0.535270D+01  0.120691D+01  0.519428D+00  0.997823D+00
               121           122           123           124           125 
      1   0.126940D+01  0.119288D+01  0.868690D+00  0.942101D+00  0.415424D+00
      2   0.119288D+01  0.465502D+01  0.220221D+01  0.415424D+00  0.176114D+01
      3   0.868690D+00  0.220221D+01  0.308532D+01  0.608669D+00  0.157362D+01
               126           127           128           129           130 
      1   0.608669D+00 -0.533778D+01 -0.137445D+01  0.244272D+01 -0.143379D+01
      2   0.157362D+01 -0.137445D+01 -0.108164D+01  0.952969D+00 -0.640018D+00
      3   0.206703D+01  0.244272D+01  0.952969D+00 -0.331122D+01  0.602010D+00
               131           132           133           134           135 
      1  -0.640018D+00  0.602010D+00  0.189919D+01  0.515953D+00 -0.188274D+01
      2  -0.948785D+00  0.129218D+01  0.515953D+00  0.937472D+00 -0.735963D+00
      3   0.129218D+01 -0.107457D+01 -0.188274D+01 -0.735963D+00  0.245405D+01
               136           137           138           139           140 
      1   0.398188D+01 -0.265246D+01  0.248600D+01 -0.289704D+01  0.263505D+01
      2  -0.265246D+01  0.257592D+01 -0.139317D+01  0.263505D+01 -0.349944D+01
      3   0.248600D+01 -0.139317D+01  0.230328D+01 -0.140644D+01  0.232685D+01
               141           142           143           144           145 
      1  -0.140644D+01  0.141017D+01 -0.918485D+00  0.151759D+01  0.151764D+01
      2   0.232685D+01 -0.918485D+00  0.151353D+01 -0.139768D+01  0.126765D+01
      3  -0.224538D+01  0.151759D+01 -0.139768D+01  0.176710D+01  0.466469D+00
               146           147           148           149           150 
      1   0.126765D+01  0.466469D+00  0.294573D+01  0.232519D+01 -0.162208D+00
      2   0.160425D+01  0.785275D-01  0.232519D+01  0.579135D+01  0.605037D+00
      3   0.785275D-01  0.254057D+00 -0.162208D+00  0.605037D+00  0.129456D+01
               151           152           153           154           155 
      1   0.128916D+01  0.326694D+00  0.551336D+00  0.688689D+01 -0.292814D+01
      2   0.326694D+00  0.116458D+01  0.844258D+00 -0.292814D+01  0.219370D+01
      3   0.551336D+00  0.844258D+00 -0.149488D+00  0.963282D+00 -0.359273D+00
               156           157           158           159           160 
      1   0.963282D+00 -0.490323D+01  0.301121D+01 -0.249825D+00  0.299463D+01
      2  -0.359273D+00  0.301121D+01 -0.245752D+01  0.649524D+00 -0.744964D+00
      3   0.975985D+00 -0.249825D+00  0.649524D+00 -0.113422D+01  0.118143D+01
               161           162           163           164           165 
      1  -0.744964D+00  0.118143D+01  0.247910D+00 -0.262168D+00 -0.816803D+00
      2   0.964510D+00 -0.758631D+00 -0.262168D+00  0.225119D+00  0.519190D-01
      3  -0.758631D+00  0.189768D+00 -0.816803D+00  0.519190D-01  0.107586D+00
               166           167           168           169           170 
      1  -0.554585D+00  0.690843D+00  0.521831D-01 -0.198349D+01  0.298753D-01
      2   0.690843D+00  0.152706D+00 -0.930043D+00  0.298753D-01 -0.105936D+01
      3   0.521831D-01 -0.930043D+00 -0.414644D+00  0.212769D+01 -0.871588D-01
               171 
      1   0.212769D+01
      2  -0.871588D-01
      3  -0.974308D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.266212D+01  0.232774D+01  0.739816D-01  0.343829D+01  0.222823D+01
      2  -0.943632D+01  0.298045D+01  0.443513D+00  0.431304D+01 -0.864427D+01
      3  -0.774942D+01  0.566954D+01  0.547788D+00  0.138176D+02  0.109151D+02
                 6             7             8             9            10 
      1  -0.525452D+00  0.737946D+00  0.320432D+01 -0.357964D+00  0.356892D+01
      2   0.127795D+01 -0.975103D+01  0.701778D+00  0.222380D+02  0.858485D+01
      3   0.478863D+01 -0.148973D+01  0.601957D+01 -0.103272D+01  0.302952D+01
                11            12            13            14            15 
      1  -0.597877D+00  0.228578D+00 -0.774308D+00  0.336633D+01 -0.423911D+01
      2  -0.732889D+00  0.442548D+01 -0.505206D+01  0.370225D+01  0.232263D+00
      3  -0.422025D+01 -0.132925D+01  0.122976D+01 -0.980101D+01 -0.441037D+01
                16            17            18            19            20 
      1  -0.358609D+00  0.247681D+01 -0.264105D+01 -0.472732D+01  0.215100D+00
      2  -0.190882D+01  0.141145D+01 -0.568772D+01 -0.640570D-01  0.458629D+00
      3  -0.566303D+00 -0.365353D+01 -0.284337D+00 -0.135629D+01 -0.512205D+01
                21            22            23            24            25 
      1  -0.919752D+00 -0.123485D+01  0.133445D+01  0.248629D+01 -0.409363D+00
      2  -0.917542D-02  0.850053D+01 -0.192909D+00  0.955103D+00 -0.717415D+01
      3   0.178513D+01  0.497979D+00  0.407834D+00  0.335088D+01 -0.876705D+00
                26            27            28            29            30 
      1   0.520259D+01 -0.206454D+01  0.143719D+01 -0.809591D-01  0.209670D+01
      2  -0.292288D+00 -0.255260D+01 -0.104286D+02 -0.143902D+01 -0.257511D+01
      3   0.178724D+01 -0.520105D-01 -0.481801D+01  0.279519D+01 -0.175227D+01
                31            32            33            34            35 
      1   0.252168D+01 -0.659331D+01  0.119053D+01 -0.302974D+01  0.144770D+01
      2   0.101431D+02 -0.112691D+01 -0.516617D+01 -0.114374D+02 -0.317069D+01
      3   0.509620D+01  0.105266D+02 -0.186289D-01 -0.638336D+01 -0.311889D+01
                36            37            38            39            40 
      1   0.874123D+01  0.587315D+00  0.278022D+00  0.183849D+01  0.214293D+01
      2   0.382797D+01  0.260994D+01  0.224997D+00  0.150591D+01 -0.778023D+00
      3   0.192382D+01  0.536936D+01 -0.139266D+01 -0.572923D+00  0.482441D+01
                41            42            43            44            45 
      1   0.260443D+01 -0.273910D+01  0.146976D+01  0.340555D+01 -0.196845D+01
      2  -0.368373D+01 -0.311071D+01 -0.166054D+01 -0.310275D+01 -0.695859D+01
      3   0.900270D+01  0.132260D+01  0.281819D+01  0.235046D+01  0.178376D+01
                46            47            48            49            50 
      1   0.358034D+01 -0.598519D+01  0.758626D+00 -0.614325D+01 -0.606599D+01
      2  -0.109268D+02 -0.688909D+01  0.130994D+02 -0.531104D+01  0.653054D+00
      3  -0.635636D+01 -0.193641D+00  0.279399D+01  0.387846D+01  0.512560D+01
                51            52            53            54            55 
      1  -0.111779D+02  0.370804D-01 -0.460594D+01  0.257061D+01 -0.154588D+01
      2  -0.146715D+00  0.589573D+01 -0.607941D+00  0.301613D+01  0.109957D+01
      3   0.479161D+01  0.258637D+01  0.367043D+01  0.524592D+00  0.773514D+01
                56            57            58            59            60 
      1   0.150020D+01 -0.622453D+01  0.130921D+01 -0.467760D+01 -0.344367D+01
      2   0.175397D+01  0.463286D+01 -0.201820D+01  0.705349D-01  0.273985D+00
      3  -0.107708D+02  0.134956D+01  0.367646D+01  0.763756D+01 -0.356928D+01
                61            62            63            64            65 
      1  -0.398985D+01  0.755125D+01  0.918121D+01  0.163625D+01  0.295408D+01
      2  -0.962665D+00  0.346416D+00 -0.662406D+00  0.765424D+00  0.873731D+00
      3   0.341630D+01 -0.232747D+01  0.563106D+01  0.140053D+01 -0.571726D+01
                66            67            68            69            70 
      1  -0.352656D+01  0.443629D-01  0.520152D+01 -0.760324D+01  0.114109D+01
      2   0.587646D+01 -0.945460D+01  0.287083D+01  0.603394D+01 -0.344246D+00
      3  -0.948901D+00  0.427472D+01 -0.159645D+02 -0.328173D+01  0.869182D+00
                71            72            73            74            75 
      1   0.420146D+01 -0.340719D+01  0.782692D+00 -0.318676D+00 -0.333390D-01
      2   0.592216D+01  0.434376D+01  0.103834D+01 -0.257791D+00  0.146716D+00
      3  -0.187781D+01 -0.457425D+01  0.110695D+01 -0.385504D+00 -0.788145D+00
                76            77            78            79            80 
      1  -0.478327D-02 -0.791199D+00 -0.233340D+00  0.110977D+00  0.341533D+01
      2  -0.944759D+00  0.487976D+00  0.873548D-01 -0.369982D+01  0.696104D-02
      3   0.124609D+01  0.188813D-01 -0.596073D+00 -0.432970D+00 -0.552644D+00
                81            82            83            84            85 
      1   0.175026D+01 -0.145617D+01  0.134698D+00 -0.585109D+00 -0.195841D+00
      2   0.917608D+00 -0.219117D+01 -0.358856D+00 -0.234748D-01 -0.883473D+00
      3  -0.687402D-02  0.337768D+01  0.128746D+01  0.100733D+01  0.551247D+01
                86            87            88            89            90 
      1   0.233554D-01 -0.360156D+01 -0.229383D+00  0.254962D+00 -0.521989D+00
      2  -0.188426D+01 -0.179640D+01 -0.231975D+01 -0.171294D+01 -0.678371D+00
      3   0.863922D+01  0.236876D+01  0.222404D+01  0.221963D+01  0.203677D+01
                91            92            93            94            95 
      1  -0.142647D+01 -0.159410D+01  0.118632D+00 -0.516710D+00 -0.111017D+01
      2  -0.183857D+01  0.556337D+00  0.489083D+01 -0.169862D+01 -0.564405D+00
      3  -0.383121D+01 -0.526780D+01  0.954412D+00 -0.264790D+01 -0.331750D+01
                96            97            98            99           100 
      1  -0.427351D+00  0.780674D+00  0.611244D+00 -0.379030D+00  0.157159D+01
      2   0.263994D+01  0.120200D+01  0.304944D+00 -0.220335D+01 -0.114854D+01
      3   0.877346D+00  0.176779D+01  0.174540D+01 -0.705215D+00 -0.565990D+01
               101           102           103           104           105 
      1  -0.178672D+01  0.331964D+01 -0.152655D+01  0.161820D+01 -0.343587D+01
      2   0.566172D+00  0.490351D+00  0.742479D+00 -0.650574D+00 -0.425008D+00
      3   0.468656D+01 -0.274392D+01  0.778091D+01 -0.640067D+01  0.297111D+01
               106           107           108           109           110 
      1   0.211858D+01 -0.171537D+01  0.252546D+01 -0.835694D+00  0.782499D+00
      2  -0.154000D+01  0.268412D+00 -0.324404D-01  0.670796D+00  0.134834D+00
      3  -0.474868D+01  0.378281D+01 -0.328619D+01 -0.597575D+00  0.122321D+00
               111           112           113           114           115 
      1   0.205967D+01  0.100970D+01 -0.245947D+01 -0.228541D+01  0.149067D+01
      2  -0.386239D+00  0.108325D+00 -0.116701D+00  0.441553D+00 -0.266193D+01
      3   0.860934D+00  0.937095D+00 -0.680964D+00 -0.987203D+00  0.290001D+01
               116           117           118           119           120 
      1  -0.182113D+01 -0.146075D+02  0.178124D+01  0.294823D+01  0.106012D+01
      2   0.543093D+00  0.972088D+00  0.296049D+00 -0.430618D+00  0.556136D+00
      3  -0.132119D+01 -0.233607D+01 -0.527114D+00 -0.277990D+01 -0.110997D+01
               121           122           123           124           125 
      1   0.220755D+01  0.126351D+02  0.344986D+01  0.134551D+01  0.575079D+01
      2  -0.236100D+01  0.106634D+01  0.328547D+01 -0.210651D+01  0.113930D+01
      3   0.749812D-01 -0.777096D+01 -0.275927D+01 -0.544342D+00 -0.237508D+01
               126           127           128           129           130 
      1   0.361762D+01 -0.572116D+00 -0.229634D+01 -0.141337D+01 -0.949695D+00
      2   0.161586D+01  0.162558D+02  0.352727D+01 -0.578948D+01  0.360868D+01
      3  -0.230660D+01  0.646466D+01  0.359980D+00 -0.242000D+01  0.297517D+01
               131           132           133           134           135 
      1  -0.531709D+00  0.483031D+00 -0.478108D+00  0.243301D+01  0.468403D+00
      2   0.251281D+01 -0.182788D+01 -0.783667D+01 -0.183903D+01  0.513474D+01
      3   0.984757D+00 -0.173663D+01 -0.219042D+01 -0.550223D+00  0.209917D+01
               136           137           138           139           140 
      1  -0.288034D+01  0.458412D+01  0.358319D+00  0.356706D+01 -0.467643D+01
      2  -0.392972D+01  0.261964D+01  0.133324D+01  0.406263D+01 -0.130626D+01
      3   0.202525D-01 -0.312489D+01  0.416785D+00  0.352416D+00  0.338401D+01
               141           142           143           144           145 
      1   0.350395D+00 -0.824927D+00  0.284471D+01 -0.814473D+00 -0.107296D+01
      2  -0.154252D+01 -0.265966D+01  0.653681D-01  0.212914D+00  0.247442D+01
      3  -0.210129D+01 -0.533194D+00 -0.180189D+01  0.748293D+00 -0.420601D+01
               146           147           148           149           150 
      1  -0.145957D+01 -0.625074D+00 -0.139929D+01 -0.437483D+01 -0.277352D+01
      2   0.116360D+01  0.176981D+01  0.120314D+01  0.415530D+01  0.453960D+01
      3  -0.509144D+01 -0.111007D+00 -0.279388D+01 -0.186543D+02 -0.234950D+01
               151           152           153           154           155 
      1  -0.486602D+00  0.246761D-01 -0.872278D+00  0.223395D+01 -0.148492D+01
      2   0.731580D+00  0.245798D+01  0.381351D+00  0.738999D+01 -0.361498D+01
      3  -0.219835D+00 -0.390352D+01 -0.213052D+01  0.544887D+01 -0.790864D+01
               156           157           158           159           160 
      1   0.144120D+01 -0.186523D+01  0.162449D+01 -0.233892D+01  0.733091D+00
      2   0.590419D+01 -0.385032D+01  0.412718D+01 -0.471160D+01  0.397229D+01
      3   0.104966D+01 -0.578217D+01  0.705064D+01 -0.194736D+01  0.111707D+01
               161           162           163           164           165 
      1  -0.179269D+00  0.944552D+00 -0.425172D-03 -0.120348D+00 -0.262196D-01
      2  -0.261125D+01  0.197726D+01 -0.248826D+01 -0.172137D+00  0.840312D+00
      3  -0.329944D+01  0.188669D+01  0.778371D+00 -0.120867D+01  0.457658D-01
               166           167           168           169           170 
      1  -0.363419D+00 -0.319641D+00 -0.267384D+00  0.211769D+00  0.375976D+01
      2  -0.329799D+00 -0.147624D+01 -0.104016D+01  0.221378D-02 -0.203113D+00
      3  -0.691426D+00 -0.730853D+00  0.201993D+01  0.286577D+00  0.320614D+01
               171 
      1  -0.119985D+01
      2  -0.245957D+02
      3   0.806258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228491D+01  0.172806D+02 -0.185007D+02  0.216967D+02 -0.219598D+02
      2  -0.430781D+01 -0.691296D+01  0.805253D+01 -0.103515D+02  0.559783D+01
      3   0.659272D+01 -0.103676D+02  0.104482D+02 -0.113452D+02  0.163620D+02
      4   0.213944D+02 -0.179743D+02  0.258429D+01 -0.269136D+02 -0.152192D+02
      5  -0.187692D+02 -0.632851D+00  0.439786D+01 -0.157976D+01 -0.857442D+01
      6  -0.507562D+00  0.178540D+01 -0.128000D+00  0.179097D+01  0.396204D+01
                 6             7             8             9            10 
      1   0.977465D+00 -0.225703D+02  0.279560D+01  0.984505D+01 -0.865834D+01
      2   0.110191D+00  0.702411D+01 -0.652184D+00  0.109506D+02 -0.327742D+00
      3  -0.108766D+01  0.155462D+02 -0.214341D+01 -0.207957D+02  0.898608D+01
      4  -0.100938D+02  0.528421D+01 -0.120830D+02  0.298958D+01 -0.844512D+01
      5   0.150221D+01 -0.181521D+00  0.146601D+01  0.339542D+02  0.125158D+02
      6   0.142830D+01  0.748605D+00  0.160733D+01 -0.533975D+01 -0.547386D+01
                11            12            13            14            15 
      1  -0.511837D+01  0.113275D+02 -0.639940D+01  0.149474D+02  0.381264D+01
      2   0.100090D+01 -0.810079D+01  0.292335D+01 -0.183600D+02 -0.687636D+01
      3   0.411747D+01 -0.322671D+01  0.347605D+01  0.341250D+01  0.306372D+01
      4   0.646190D+01 -0.230424D+01  0.173400D+02  0.678989D+01  0.557870D+01
      5   0.866973D+00 -0.461759D+00  0.270294D+01  0.565635D+01  0.208480D+01
      6   0.281022D-02  0.116212D+00  0.111284D+01 -0.867829D+01  0.269256D+01
                16            17            18            19            20 
      1   0.156038D+02  0.277301D+01  0.448726D+01 -0.149711D+02 -0.149569D+01
      2  -0.744800D+01 -0.346229D+01 -0.174779D+01  0.179276D+02  0.686303D+00
      3  -0.815584D+01  0.689287D+00 -0.273947D+01 -0.295650D+01  0.809392D+00
      4  -0.335816D+01  0.505510D+01  0.164083D+01  0.516802D+01  0.201125D+01
      5  -0.468072D+00  0.268127D+01 -0.144431D+02  0.443982D+01 -0.314441D+00
      6  -0.721083D+00 -0.242484D+01  0.213269D+01  0.432667D+01 -0.439905D+00
                21            22            23            24            25 
      1   0.205686D+01 -0.295910D+01  0.210050D+00  0.436676D+01 -0.869913D+01
      2  -0.352716D-02  0.104052D+01 -0.379542D+01 -0.258063D+01  0.286646D+01
      3  -0.205333D+01  0.191858D+01  0.358537D+01 -0.178613D+01  0.583267D+01
      4   0.214721D+01 -0.123368D+02  0.175953D+01  0.441214D-01  0.490811D+00
      5  -0.857329D-01  0.334256D+01  0.746098D+00 -0.144916D+00  0.115522D+01
      6   0.123274D+00 -0.237117D+00  0.174097D+01 -0.443010D+01 -0.166706D+01
                26            27            28            29            30 
      1   0.135426D+01  0.106843D+02  0.923135D+01  0.107390D+02 -0.287933D+01
      2  -0.480440D+01  0.127892D+02 -0.108263D+02 -0.907844D+01 -0.201459D+01
      3   0.345014D+01 -0.234735D+02  0.159494D+01 -0.166059D+01  0.489392D+01
      4  -0.136232D+01 -0.413212D+00  0.173929D+01 -0.998965D+01 -0.859694D+01
      5  -0.169977D+01  0.239791D+01 -0.636756D+01 -0.916815D+01 -0.912635D+01
      6   0.137845D+01  0.497982D+01 -0.698409D+01 -0.212279D+01 -0.336519D+01
                31            32            33            34            35 
      1  -0.265101D+01  0.502348D+01  0.824752D+00 -0.805234D+01 -0.653448D+01
      2  -0.329825D+01 -0.137865D+02  0.635962D+01  0.237652D+01 -0.156247D+01
      3   0.594926D+01  0.876297D+01 -0.718438D+01  0.567582D+01  0.809694D+01
      4  -0.191659D+02 -0.209229D+02 -0.511238D+01 -0.169298D+02 -0.210447D+01
      5  -0.174818D+02 -0.763886D+01 -0.103654D+02 -0.413853D+01 -0.314302D+01
      6  -0.250984D+01 -0.935410D+01 -0.636210D+01  0.390206D+00 -0.314190D+00
                36            37            38            39            40 
      1  -0.209970D+01 -0.191626D+02 -0.148235D+02  0.660289D+01 -0.231758D+02
      2  -0.240086D+00  0.123606D+02  0.705756D+01 -0.869345D+00  0.126687D+02
      3   0.233978D+01  0.680198D+01  0.776598D+01 -0.573354D+01  0.105072D+02
      4  -0.217036D+01 -0.198037D+02  0.749534D+01  0.628908D+01  0.106005D+02
      5   0.362355D+01  0.842099D+01  0.632443D+01  0.339049D+01  0.122907D+02
      6  -0.738799D+01  0.553849D+01 -0.267275D+00 -0.372555D+01 -0.135556D+01
                41            42            43            44            45 
      1  -0.227571D+01  0.424014D+01  0.702182D+01  0.241514D+01 -0.474394D+01
      2   0.670612D+01 -0.481113D+01 -0.321346D+01 -0.141571D+01 -0.671819D+01
      3  -0.443041D+01  0.570996D+00 -0.380836D+01 -0.999430D+00  0.114621D+02
      4  -0.145835D+02 -0.487467D+01  0.879354D+01 -0.485540D+01 -0.753320D+01
      5  -0.292286D+01 -0.829883D+01  0.769315D+01 -0.683255D+01 -0.146379D+02
      6   0.403377D+01  0.619684D+01 -0.384650D+01  0.551022D+01  0.361766D+01
                46            47            48            49            50 
      1   0.121862D+02  0.820080D+01 -0.115366D+02  0.710012D+01 -0.318999D+01
      2  -0.151523D+01 -0.211260D+00  0.416387D+01 -0.143955D+00  0.970054D+01
      3  -0.106709D+02 -0.798954D+01  0.737274D+01 -0.695617D+01 -0.651055D+01
      4   0.686811D+01 -0.147994D+02  0.861499D+01 -0.162370D+02 -0.660705D+00
      5  -0.544832D+01  0.107185D+02 -0.122499D+02  0.940060D+01 -0.191407D+02
      6   0.166077D+02 -0.106359D+02 -0.124920D+01 -0.121856D+02 -0.325099D+01
                51            52            53            54            55 
      1   0.148538D+01 -0.935890D+01  0.287852D-01 -0.768148D+01  0.116203D+02
      2   0.419973D+01  0.254692D+01  0.361613D+01 -0.567067D+01 -0.109673D+02
      3  -0.568511D+01  0.681198D+01 -0.364491D+01  0.133521D+02 -0.652963D+00
      4  -0.124900D+02  0.655219D+01 -0.877694D+01 -0.146541D+01  0.682661D+01
      5  -0.656909D+00 -0.119252D+02 -0.227650D+01  0.990571D+01 -0.254712D+01
      6  -0.144863D+02 -0.483132D+00 -0.103060D+02 -0.225153D+01  0.414508D+01
                56            57            58            59            60 
      1  -0.112329D+02  0.806669D+00 -0.732051D+01 -0.100521D+02 -0.398745D+01
      2   0.188075D+02 -0.337564D+01  0.143894D+02  0.170201D+02  0.613452D+01
      3  -0.757469D+01  0.256898D+01 -0.706885D+01 -0.696798D+01 -0.214707D+01
      4  -0.445332D+01  0.327196D+01  0.257184D+01  0.135673D+02 -0.383192D+01
      5   0.252161D+01  0.223133D+01  0.284369D+00 -0.307666D+01  0.164491D+01
      6  -0.636862D+01  0.951606D+01 -0.586195D+01  0.579562D+01  0.121671D+01
                61            62            63            64            65 
      1   0.374597D+01 -0.787775D+00  0.276165D+01  0.161222D+02  0.650780D+01
      2  -0.436546D+01  0.553678D+01 -0.550341D+01 -0.587436D+01  0.935795D+00
      3   0.619498D+00 -0.474901D+01  0.274176D+01 -0.102479D+02 -0.744360D+01
      4   0.419487D+01 -0.321127D+01  0.811375D+01  0.176391D+02  0.195211D+02
      5   0.268018D+01  0.301367D+01 -0.101427D+01  0.134858D+02  0.893694D+01
      6   0.932737D+01 -0.321577D+01 -0.124228D+02  0.567373D+01  0.449764D+01
                66            67            68            69            70 
      1   0.368765D+01  0.999748D+01 -0.133479D+02 -0.535550D+01  0.750168D+01
      2  -0.352017D+01  0.361394D+00  0.302868D+02  0.181628D+01 -0.402373D+01
      3  -0.167480D+00 -0.103589D+02 -0.169389D+02  0.353922D+01 -0.347795D+01
      4   0.801738D+01  0.279982D+02  0.402308D+02  0.110044D+02  0.982356D+01
      5   0.147180D+02  0.117269D+02  0.140058D+02  0.149405D+02  0.153382D+02
      6   0.566287D+01  0.663069D+01  0.148002D+02  0.150725D+02  0.608389D+01
                71            72            73            74            75 
      1  -0.190096D+01 -0.539254D+01  0.158767D+01 -0.136113D+00 -0.476522D+00
      2   0.147641D+01 -0.303646D+01 -0.506190D+01  0.302625D+00  0.496229D+00
      3   0.424549D+00  0.842900D+01  0.347423D+01 -0.166512D+00 -0.197063D-01
      4   0.870891D+01  0.120298D+02 -0.711912D+00  0.124669D+01 -0.121512D+01
      5   0.130319D+02  0.169940D+02 -0.146690D+01 -0.500095D+00  0.620281D+01
      6   0.135935D+02  0.113681D+02 -0.141522D+01  0.120300D+00  0.418100D+00
                76            77            78            79            80 
      1   0.104344D+01 -0.406631D+01  0.130169D+00  0.145877D+01  0.297408D+01
      2   0.418207D+00  0.652741D+00 -0.131091D+01  0.783653D+00 -0.128324D+01
      3  -0.146165D+01  0.341357D+01  0.118074D+01 -0.224243D+01 -0.169084D+01
      4   0.272284D+01 -0.226266D+00 -0.143400D+00 -0.140791D+00  0.641531D+00
      5   0.528620D-01 -0.470698D+00 -0.225831D+00  0.545195D+01  0.660456D+00
      6   0.184082D+00 -0.105976D+01  0.697482D+01  0.366748D+00  0.518097D+01
                81            82            83            84            85 
      1  -0.203099D+02 -0.667357D+00 -0.267051D+01 -0.229779D+01 -0.426561D+01
      2  -0.167340D+02  0.376014D+01  0.322097D+01  0.196458D+01  0.412201D+01
      3   0.370439D+02 -0.309278D+01 -0.550463D+00  0.333210D+00  0.143598D+00
      4  -0.154986D+00  0.131779D+00  0.345410D+01  0.985400D+00  0.224893D+01
      5  -0.527888D+00 -0.173913D+01  0.682539D+00  0.106827D+01  0.991370D+00
      6  -0.726773D+01  0.197803D+01  0.106110D+01  0.623491D+00  0.708120D+00
                86            87            88            89            90 
      1  -0.181167D+02 -0.290567D+01 -0.359380D+01 -0.424097D+01 -0.520918D+01
      2   0.289400D+02  0.611654D+01  0.217598D+01  0.461370D+01  0.339040D+01
      3  -0.108233D+02 -0.321087D+01  0.141782D+01 -0.372731D+00  0.181878D+01
      4  -0.114376D+02 -0.305073D+01  0.372872D+00 -0.311987D+01 -0.227624D+01
      5  -0.315909D+01 -0.411212D+01  0.218896D+01 -0.266779D+01 -0.670885D+00
      6   0.901858D+01  0.660624D+01  0.109046D+01  0.833122D+01  0.482919D+01
                91            92            93            94            95 
      1   0.506010D+02  0.561464D+01 -0.131255D+02  0.194807D+02  0.658048D+01
      2  -0.287609D+02 -0.360329D+01  0.883583D+01 -0.107893D+02 -0.308788D+01
      3  -0.218402D+02 -0.201135D+01  0.428969D+01 -0.869140D+01 -0.349260D+01
      4   0.532137D+01  0.665872D+01 -0.127055D+01  0.104804D+02  0.437529D+01
      5  -0.196591D+02 -0.163355D+01  0.114424D+02 -0.900924D+01 -0.398481D+01
      6  -0.311383D+01 -0.106091D+01  0.124937D+01 -0.381415D+01 -0.196940D+01
                96            97            98            99           100 
      1  -0.586390D+01 -0.563567D+01 -0.375754D+00  0.598496D+01 -0.281468D+01
      2   0.376401D+01  0.504925D+01  0.548028D+00 -0.541107D+01  0.868718D+01
      3   0.209990D+01  0.586423D+00 -0.172273D+00 -0.573886D+00 -0.587251D+01
      4  -0.374041D+01 -0.871092D+00 -0.199688D+01  0.789604D+00 -0.929644D+01
      5   0.517244D+01  0.109793D+02  0.122696D+01 -0.759498D+01  0.323722D+01
      6   0.235801D+01  0.863108D+00  0.131557D+01 -0.978136D+00 -0.631061D+01
               101           102           103           104           105 
      1   0.803592D+01 -0.250248D+01  0.673198D+01 -0.143985D+02  0.437986D+01
      2  -0.157990D+02  0.414382D+01 -0.125439D+02  0.260035D+02 -0.736330D+01
      3   0.776306D+01 -0.164134D+01  0.581191D+01 -0.116049D+02  0.298344D+01
      4   0.138983D+02 -0.534514D+01  0.116499D+02 -0.130272D+02  0.447488D+01
      5  -0.324291D+01  0.331942D+01 -0.175074D+01  0.298313D+01 -0.161677D+01
      6   0.794880D+01 -0.615635D+01  0.618031D+01 -0.109084D+02  0.767876D+01
               106           107           108           109           110 
      1  -0.401955D+01  0.680042D+01 -0.568986D+01 -0.142208D+01  0.159162D+01
      2   0.521309D+01 -0.932967D+01  0.546438D+01  0.174483D+01 -0.185432D+01
      3  -0.119355D+01  0.252925D+01  0.225479D+00 -0.322759D+00  0.262700D+00
      4  -0.616283D+01  0.610713D+01 -0.533480D+01  0.285149D+00  0.332525D+01
      5   0.331611D+01 -0.281061D+01  0.269334D+01 -0.945251D+00 -0.851850D-01
      6  -0.671968D+01  0.111236D+02 -0.789139D+01  0.930907D+00 -0.178236D+01
               111           112           113           114           115 
      1   0.150464D+01  0.104074D+01 -0.364664D+01 -0.281848D+01  0.117774D+01
      2  -0.949297D+00 -0.103621D+01  0.482258D+01  0.343055D+01 -0.150042D+01
      3  -0.555347D+00 -0.453340D-02 -0.117594D+01 -0.612068D+00  0.322680D+00
      4   0.104373D+01  0.291950D+01 -0.113255D+01 -0.101697D+01  0.325575D+01
      5   0.180448D+01  0.241031D-01 -0.199140D+00 -0.367518D+00  0.143450D+01
      6  -0.345654D+01 -0.126577D+01  0.351067D+01  0.647035D+01 -0.325916D+01
               116           117           118           119           120 
      1  -0.619297D+01 -0.819776D+01  0.219156D+01  0.192516D+01  0.194367D+01
      2   0.772276D+01  0.195180D+01 -0.340535D+01 -0.259465D+01 -0.372140D+01
      3  -0.152979D+01  0.624596D+01  0.121379D+01  0.669486D+00  0.177772D+01
      4  -0.194916D+01 -0.305649D+01  0.333453D+01  0.659568D+01  0.155253D+01
      5  -0.997865D+00 -0.105346D+01  0.628682D+01  0.396905D+01  0.831142D+01
      6   0.832027D+01  0.206796D+02  0.193886D+01  0.517537D+01  0.217011D+01
               121           122           123           124           125 
      1   0.330630D+01 -0.312151D+01 -0.516863D+01  0.857697D+00 -0.311362D+01
      2  -0.420561D+01 -0.136800D+01 -0.696751D+01 -0.265772D+01 -0.411354D+01
      3   0.899311D+00  0.448951D+01  0.121361D+02  0.180002D+01  0.722716D+01
      4   0.630237D+01  0.124572D+02  0.730674D+01  0.820521D+00  0.490584D+01
      5   0.698169D+01  0.106624D+02  0.110076D+02  0.629221D+01  0.592959D+01
      6   0.560851D+01  0.173093D+02  0.108461D+02  0.227314D+01  0.100166D+02
               126           127           128           129           130 
      1  -0.452993D+01 -0.950401D+01 -0.587022D+01  0.130757D+02 -0.486194D+01
      2  -0.544225D+01  0.830606D+00  0.252962D+01  0.191367D+01  0.261272D+01
      3   0.997218D+01  0.867341D+01  0.334061D+01 -0.149893D+02  0.224922D+01
      4   0.449386D+01  0.594503D+01  0.353654D+01 -0.326396D+01  0.451434D+01
      5   0.760278D+01 -0.131367D+02 -0.380157D+01  0.570846D+01 -0.406403D+01
      6   0.717901D+01 -0.744626D+01 -0.588229D+01  0.750598D+01 -0.366045D+01
               131           132           133           134           135 
      1  -0.495361D+01  0.451900D+01  0.893619D+01  0.391913D+01 -0.108424D+02
      2   0.238108D+01 -0.138742D+01  0.133687D+01 -0.802369D+00 -0.334506D+01
      3   0.257253D+01 -0.313158D+01 -0.102731D+02 -0.311676D+01  0.141874D+02
      4   0.142940D+01  0.545661D+00 -0.238290D+01  0.342597D-01  0.227478D+01
      5   0.979625D-01  0.886213D+00  0.773152D+01  0.155203D+01 -0.478056D+01
      6  -0.479097D+01  0.739264D+01  0.479479D+01  0.613507D+01 -0.606038D+01
               136           137           138           139           140 
      1   0.119391D+02 -0.470778D+01  0.228819D+01 -0.508330D+01 -0.210958D+01
      2  -0.701966D+01  0.203921D+00 -0.541507D+01 -0.174408D+00  0.618251D+01
      3  -0.491944D+01  0.450386D+01  0.312688D+01  0.525770D+01 -0.407293D+01
      4  -0.166947D+02  0.150495D+02 -0.885227D+01  0.158248D+02 -0.171180D+02
      5   0.192639D+02 -0.122538D+02  0.161194D+02 -0.129343D+02  0.134890D+02
      6  -0.116855D+02  0.114517D+02 -0.864735D+01  0.111251D+02 -0.155587D+02
               141           142           143           144           145 
      1   0.312889D+01  0.132584D+01  0.207063D+01 -0.158997D+01  0.102811D+02
      2   0.330465D+00 -0.392555D+01  0.110702D+01 -0.388874D+01 -0.205885D+01
      3  -0.345935D+01  0.259971D+01 -0.317766D+01  0.547871D+01 -0.822229D+01
      4   0.980304D+01 -0.538361D+01  0.618598D+01 -0.713161D+01  0.762343D+01
      5  -0.107811D+02  0.119762D+02 -0.776047D+01  0.107304D+02  0.191223D+01
      6   0.133223D+02 -0.648459D+01  0.986292D+01 -0.893477D+01 -0.594385D+00
               146           147           148           149           150 
      1   0.704622D+01  0.292988D+01  0.153798D+02  0.886099D+01  0.485658D-01
      2  -0.180420D+01 -0.928691D+00 -0.519270D+01  0.551549D+01  0.183950D+01
      3  -0.524203D+01 -0.200119D+01 -0.101871D+02 -0.143765D+02 -0.188806D+01
      4   0.132691D+02  0.113414D+01  0.180889D+02  0.329393D+02  0.338265D+01
      5   0.256480D+00  0.208536D+01 -0.198921D+01  0.323575D+01  0.805381D+01
      6  -0.156447D+01  0.299931D+00 -0.162413D+01 -0.459040D+01  0.212516D+01
               151           152           153           154           155 
      1   0.772806D+01  0.147987D+01 -0.366920D-01  0.502083D+02 -0.181074D+02
      2  -0.292969D+01  0.619089D+00 -0.130248D+01 -0.208704D+02  0.579161D+01
      3  -0.479837D+01 -0.209896D+01  0.133917D+01 -0.293380D+02  0.123157D+02
      4   0.231512D+01  0.641885D+01  0.455125D+01 -0.249379D+02  0.185145D+02
      5   0.376525D+01  0.509714D+01 -0.308368D+00  0.222830D+01 -0.883758D+00
      6   0.127748D+01  0.246195D+01  0.102988D+01  0.171511D+01 -0.179247D+01
               156           157           158           159           160 
      1   0.671962D+01 -0.268156D+02  0.140994D+02 -0.206254D+01  0.161898D+02
      2  -0.212866D+01  0.899640D+01 -0.120178D+00 -0.561577D+00 -0.652637D+01
      3  -0.459096D+01  0.178192D+02 -0.139792D+02  0.262412D+01 -0.966338D+01
      4  -0.302945D+01  0.246200D+02 -0.191565D+02  0.421597D+01 -0.727108D+01
      5   0.795314D+01  0.355222D+00  0.243210D+01 -0.722537D+01  0.843127D+01
      6  -0.125370D+01 -0.181153D+01  0.922149D+00  0.235855D+01 -0.170233D+01
               161           162           163           164           165 
      1  -0.406513D+01  0.475954D+01  0.153971D+01 -0.179167D+01 -0.500139D+01
      2   0.717467D+00 -0.379243D+01 -0.332697D+01  0.827398D+00  0.314520D+01
      3   0.334766D+01 -0.967107D+00  0.178725D+01  0.964273D+00  0.185620D+01
      4   0.687878D+01 -0.544235D+01 -0.164617D+01  0.270502D+01  0.166755D+00
      5  -0.486620D+01  0.233698D+01 -0.424440D+01  0.169519D+00  0.743494D+01
      6   0.173409D+01 -0.989663D+00  0.676767D+00 -0.126076D+00  0.296484D+00
               166           167           168           169           170 
      1  -0.273890D+01  0.498987D+00 -0.103797D+01 -0.792908D+01 -0.685797D+00
      2   0.119089D+01 -0.125625D+01  0.330498D+00  0.890609D+01  0.181958D+00
      3   0.154801D+01  0.757263D+00  0.707477D+00 -0.977006D+00  0.503839D+00
      4   0.528847D+01  0.676479D+00 -0.453477D+01  0.596817D+00 -0.547701D+01
      5   0.655720D+00 -0.414141D+01 -0.149767D+01  0.167970D+02 -0.863509D+00
      6  -0.154744D+01  0.997597D+00  0.680265D+01 -0.159151D+01  0.621534D+01
               171 
      1  -0.117088D+02
      2  -0.212231D+02
      3   0.329318D+02
      4  -0.190476D+01
      5  -0.477404D+02
      6   0.563804D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:40:36 2021, MaxMem=  5368709120 cpu:            3720.5 elap:             466.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20329 -19.14307 -14.32322 -10.32727 -10.23465
 Alpha  occ. eigenvalues --  -10.19839 -10.18123 -10.17312  -1.11353  -1.02162
 Alpha  occ. eigenvalues --   -0.90003  -0.79456  -0.70963  -0.68583  -0.63167
 Alpha  occ. eigenvalues --   -0.56534  -0.52287  -0.51637  -0.49412  -0.46707
 Alpha  occ. eigenvalues --   -0.44848  -0.44070  -0.42255  -0.41740  -0.38971
 Alpha  occ. eigenvalues --   -0.38061  -0.35469  -0.34414  -0.33770  -0.33247
 Alpha  occ. eigenvalues --   -0.31400  -0.25261
 Alpha virt. eigenvalues --   -0.01440  -0.00316   0.02641   0.03972   0.04034
 Alpha virt. eigenvalues --    0.05863   0.07388   0.08227   0.09011   0.09772
 Alpha virt. eigenvalues --    0.10041   0.11048   0.12070   0.13037   0.13480
 Alpha virt. eigenvalues --    0.13941   0.14666   0.15862   0.16562   0.17314
 Alpha virt. eigenvalues --    0.18093   0.18452   0.19366   0.19916   0.20709
 Alpha virt. eigenvalues --    0.20831   0.22364   0.23257   0.23574   0.24344
 Alpha virt. eigenvalues --    0.26429   0.26631   0.27929   0.29013   0.29266
 Alpha virt. eigenvalues --    0.29690   0.30874   0.31477   0.31722   0.32635
 Alpha virt. eigenvalues --    0.33046   0.33300   0.34154   0.34513   0.35041
 Alpha virt. eigenvalues --    0.35596   0.36518   0.36932   0.37559   0.38297
 Alpha virt. eigenvalues --    0.38816   0.39289   0.39728   0.39817   0.40781
 Alpha virt. eigenvalues --    0.41441   0.42231   0.42831   0.44402   0.44784
 Alpha virt. eigenvalues --    0.45925   0.46518   0.46893   0.47856   0.48850
 Alpha virt. eigenvalues --    0.49015   0.50163   0.51078   0.51455   0.51983
 Alpha virt. eigenvalues --    0.52260   0.52968   0.53377   0.53883   0.54653
 Alpha virt. eigenvalues --    0.55402   0.55757   0.57064   0.57609   0.58220
 Alpha virt. eigenvalues --    0.58865   0.59347   0.60475   0.62022   0.62171
 Alpha virt. eigenvalues --    0.63018   0.64678   0.65930   0.66360   0.66850
 Alpha virt. eigenvalues --    0.68848   0.69573   0.70017   0.70573   0.71636
 Alpha virt. eigenvalues --    0.72473   0.74163   0.75997   0.76923   0.77681
 Alpha virt. eigenvalues --    0.79033   0.80740   0.81952   0.82485   0.83933
 Alpha virt. eigenvalues --    0.87605   0.88717   0.92311   0.93362   0.94108
 Alpha virt. eigenvalues --    0.95912   0.97432   1.00426   1.02091   1.03162
 Alpha virt. eigenvalues --    1.04006   1.04811   1.05641   1.06448   1.06646
 Alpha virt. eigenvalues --    1.09201   1.12520   1.16309   1.17053   1.21324
 Alpha virt. eigenvalues --    1.22404   1.23252   1.24989   1.26162   1.29695
 Alpha virt. eigenvalues --    1.31568   1.34078   1.36610   1.38406   1.42234
 Alpha virt. eigenvalues --    1.42699   1.46130   1.49560   1.50626   1.51882
 Alpha virt. eigenvalues --    1.52438   1.57567   1.60247   1.62007   1.62856
 Alpha virt. eigenvalues --    1.65374   1.67940   1.71198   1.71679   1.74218
 Alpha virt. eigenvalues --    1.76851   1.78395   1.78974   1.81569   1.84527
 Alpha virt. eigenvalues --    1.86142   1.87110   1.88208   1.89554   1.90337
 Alpha virt. eigenvalues --    1.92526   1.95407   1.96726   1.98718   2.00028
 Alpha virt. eigenvalues --    2.00947   2.03366   2.05024   2.06010   2.06416
 Alpha virt. eigenvalues --    2.08098   2.09942   2.12528   2.12991   2.15647
 Alpha virt. eigenvalues --    2.17359   2.19761   2.20465   2.24528   2.27026
 Alpha virt. eigenvalues --    2.27513   2.29929   2.31259   2.34674   2.35844
 Alpha virt. eigenvalues --    2.40617   2.41235   2.43146   2.45642   2.47864
 Alpha virt. eigenvalues --    2.52464   2.54426   2.59479   2.63287   2.65841
 Alpha virt. eigenvalues --    2.67700   2.68620   2.71624   2.80352   2.86685
 Alpha virt. eigenvalues --    2.87740   2.88406   2.91522   2.97858   2.99032
 Alpha virt. eigenvalues --    3.00777   3.01724   3.03416   3.08333   3.10830
 Alpha virt. eigenvalues --    3.12645   3.16941   3.18202   3.19294   3.24408
 Alpha virt. eigenvalues --    3.25923   3.38017   3.44061   3.60164   3.64333
 Alpha virt. eigenvalues --    3.81420   3.94655
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.146282   0.305682   0.002302   0.017334  -0.000226  -0.026705
     2  C    0.305682   5.561425   0.384226  -0.053882  -0.021527   0.408704
     3  C    0.002302   0.384226   5.538845  -0.254785  -0.040748  -0.011623
     4  C    0.017334  -0.053882  -0.254785   5.674064  -0.112771  -0.040391
     5  O   -0.000226  -0.021527  -0.040748  -0.112771   8.349558  -0.001541
     6  C   -0.026705   0.408704  -0.011623  -0.040391  -0.001541   4.088077
     7  N    0.040520  -0.179571  -0.302414   0.104604   0.012357  -0.052721
     8  O    0.005084  -0.018682   0.001969   0.150020   0.021500   0.001531
     9  H   -0.087753   0.101287   0.170690  -0.089701   0.007857   0.035843
    10  H   -0.081982   0.215936  -0.054645  -0.037708   0.001699  -0.032752
    11  H    0.000056   0.002741   0.020737   0.095374   0.149878   0.001720
    12  H    0.003065   0.016336   0.177816   0.019215  -0.016933   0.007686
    13  H   -0.016981  -0.027975   0.240320  -0.145689   0.040274   0.011458
    14  H   -0.003284   0.143255  -0.006326  -0.024704  -0.003318   0.157553
    15  H    0.010804   0.085541  -0.063256   0.046289   0.006802   0.245886
    16  H   -0.008994   0.134770   0.008485   0.017129  -0.002094   0.082388
    17  H    0.092223   0.202983  -0.026868  -0.001310  -0.000722  -0.017716
    18  H    0.089255   0.197977   0.015519  -0.004976   0.000740  -0.024015
    19  H    0.338062  -0.016533  -0.009987   0.018708  -0.000453   0.012403
               7          8          9         10         11         12
     1  C    0.040520   0.005084  -0.087753  -0.081982   0.000056   0.003065
     2  C   -0.179571  -0.018682   0.101287   0.215936   0.002741   0.016336
     3  C   -0.302414   0.001969   0.170690  -0.054645   0.020737   0.177816
     4  C    0.104604   0.150020  -0.089701  -0.037708   0.095374   0.019215
     5  O    0.012357   0.021500   0.007857   0.001699   0.149878  -0.016933
     6  C   -0.052721   0.001531   0.035843  -0.032752   0.001720   0.007686
     7  N    8.018818   0.016357  -0.066973   0.040969  -0.007128  -0.290204
     8  O    0.016357   8.413818  -0.030002  -0.042950  -0.069725  -0.004499
     9  H   -0.066973  -0.030002   1.081717   0.047952   0.003610  -0.026952
    10  H    0.040969  -0.042950   0.047952   1.293869   0.000052  -0.009133
    11  H   -0.007128  -0.069725   0.003610   0.000052   0.676257   0.002110
    12  H   -0.290204  -0.004499  -0.026952  -0.009133   0.002110   1.102195
    13  H   -0.310708  -0.010213   0.045295   0.000357   0.002411   0.020322
    14  H   -0.049260   0.001851  -0.001591  -0.016924  -0.000241   0.005583
    15  H    0.000291   0.000887  -0.003063  -0.005562  -0.002502   0.001303
    16  H    0.016400  -0.000458  -0.006072   0.025123  -0.000137  -0.000252
    17  H   -0.008084  -0.000042   0.007404   0.012249   0.000063   0.000134
    18  H   -0.003466  -0.001317   0.009914   0.033369  -0.000006  -0.000334
    19  H    0.009385   0.003166  -0.029960  -0.033995  -0.000049   0.001215
              13         14         15         16         17         18
     1  C   -0.016981  -0.003284   0.010804  -0.008994   0.092223   0.089255
     2  C   -0.027975   0.143255   0.085541   0.134770   0.202983   0.197977
     3  C    0.240320  -0.006326  -0.063256   0.008485  -0.026868   0.015519
     4  C   -0.145689  -0.024704   0.046289   0.017129  -0.001310  -0.004976
     5  O    0.040274  -0.003318   0.006802  -0.002094  -0.000722   0.000740
     6  C    0.011458   0.157553   0.245886   0.082388  -0.017716  -0.024015
     7  N   -0.310708  -0.049260   0.000291   0.016400  -0.008084  -0.003466
     8  O   -0.010213   0.001851   0.000887  -0.000458  -0.000042  -0.001317
     9  H    0.045295  -0.001591  -0.003063  -0.006072   0.007404   0.009914
    10  H    0.000357  -0.016924  -0.005562   0.025123   0.012249   0.033369
    11  H    0.002411  -0.000241  -0.002502  -0.000137   0.000063  -0.000006
    12  H    0.020322   0.005583   0.001303  -0.000252   0.000134  -0.000334
    13  H    1.148963   0.037389  -0.013795  -0.002856  -0.007278   0.002233
    14  H    0.037389   0.853685  -0.011837  -0.066872   0.027526  -0.025149
    15  H   -0.013795  -0.011837   0.941961  -0.084960  -0.000586   0.002104
    16  H   -0.002856  -0.066872  -0.084960   1.005821  -0.026437   0.021405
    17  H   -0.007278   0.027526  -0.000586  -0.026437   0.829168   0.001297
    18  H    0.002233  -0.025149   0.002104   0.021405   0.001297   0.938541
    19  H   -0.001665  -0.001427  -0.002398   0.009030  -0.097826  -0.089334
              19
     1  C    0.338062
     2  C   -0.016533
     3  C   -0.009987
     4  C    0.018708
     5  O   -0.000453
     6  C    0.012403
     7  N    0.009385
     8  O    0.003166
     9  H   -0.029960
    10  H   -0.033995
    11  H   -0.000049
    12  H    0.001215
    13  H   -0.001665
    14  H   -0.001427
    15  H   -0.002398
    16  H    0.009030
    17  H   -0.097826
    18  H   -0.089334
    19  H    0.931195
 Mulliken charges:
               1
     1  C    1.175255
     2  C   -1.442695
     3  C    0.209742
     4  C    0.623180
     5  O   -0.390334
     6  C    1.154216
     7  N    0.010827
     8  O   -0.438296
     9  H   -0.169504
    10  H   -0.355925
    11  H    0.124778
    12  H   -0.008675
    13  H   -0.011861
    14  H   -0.015909
    15  H   -0.153909
    16  H   -0.121421
    17  H    0.013824
    18  H   -0.163758
    19  H   -0.039538
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.985783
     2  C   -1.798619
     3  C    0.040239
     4  C    0.623180
     5  O   -0.265556
     6  C    0.862978
     7  N   -0.009708
     8  O   -0.438296
 Electronic spatial extent (au):  <R**2>=           1053.3364
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4651    Y=              1.1232    Z=              1.0421  Tot=              1.6012
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.5652   YY=            -53.6748   ZZ=            -49.4948
   XY=             -5.3933   XZ=             -2.5394   YZ=             -2.6735
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0131   YY=             -3.0965   ZZ=              1.0834
   XY=             -5.3933   XZ=             -2.5394   YZ=             -2.6735
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.0772  YYY=              8.3005  ZZZ=             -1.9588  XYY=             -3.0262
  XXY=              0.4265  XXZ=             11.4526  XZZ=             -5.2982  YZZ=              4.3109
  YYZ=              3.6833  XYZ=              7.2209
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -734.8726 YYYY=           -307.8781 ZZZZ=           -263.8435 XXXY=             -6.5719
 XXXZ=            -30.3747 YYYX=            -24.2929 YYYZ=             -1.0094 ZZZX=             -7.0182
 ZZZY=              1.9451 XXYY=           -203.1723 XXZZ=           -176.3304 YYZZ=            -93.6783
 XXYZ=            -11.6973 YYXZ=              0.1441 ZZXY=             -2.1069
 N-N= 4.077266068490D+02 E-N=-1.752321261148D+03  KE= 3.980154228621D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:40:37 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2669    1.2664        0.3706    0.3704
 2     -1.2669   -1.2664       -0.9643   -0.9649       -5.9969   -5.9957
 3     -0.3706   -0.3704        7.1277    7.1268        0.9650    0.9649
 4      0.9643    0.9649       -0.0000    0.0000       -0.3721   -0.3704
 5     -1.1307   -1.1312        0.3721    0.3704        1.2665    1.2664
 6     -0.9650   -0.9649       -1.2665   -1.2664       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.7992   -3.7992        1.1111    1.1111
 2      2.8947    2.8947        0.0000    0.0000        1.1111    1.1111
 3      2.8947    2.8947       -3.7992   -3.7992       -0.0000    0.0000
 4     -3.7992   -3.7992       -2.8947   -2.8947      -17.9871  -17.9871
 5     -1.1111   -1.1111       21.3805   21.3805        2.8947    2.8947
 6     -3.3935   -3.3935        1.1111    1.1111        3.7992    3.7992
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0284    0.0000       -5.1254   -5.0656       -1.4728   -1.4815
 2      5.0949    5.0656        3.8481    3.8596       24.0178   23.9828
 3      1.4768    1.4815      -28.4745  -28.5074       -3.8402   -3.8596
 4     -3.8290   -3.8596       -0.0188    0.0000        1.5196    1.4815
 5      4.5149    4.5246       -1.4523   -1.4815       -5.0659   -5.0656
 6      3.8848    3.8596        5.0330    5.0656        0.0121    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0160    0.0000        6.7735    6.8831       -5.4882   -5.4585
 2     -6.8755   -6.8831        7.6400    7.5870       13.3931   13.4611
 3      5.4540    5.4585       18.5444   18.5902       -7.5840   -7.5870
 4     -7.5929   -7.5870        0.0257    0.0000        5.4594    5.4585
 5    -31.9813  -32.0513       -5.5251   -5.4585        6.9844    6.8831
 6      7.5788    7.5870       -6.7942   -6.8831        0.0101    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.4560   -8.4358       13.7366   13.5832       10.5383   10.5409
 2    -24.2132  -24.1869       17.2755   17.2511       10.5410   10.5409
 3    -24.2467  -24.1869       13.7284   13.5832       16.4311   16.4082
 4     -3.6956   -3.6679       15.7366   15.7512       21.3105   21.3307
 5      5.9118    5.8674       39.6555   39.7165      -15.7308  -15.7512
 6    -60.9656  -61.0472       -5.9058   -5.8674        3.8418    3.6679
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.9449                 0.4422                 0.5949
  Dep-P Fr= 1--      0.7329                 0.7427                 0.6224
  Dep-U Fr= 1--      0.8459                 0.8523                 0.7673
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0014
 Beta2  Fr= 1--      0.1332                 0.0628                 0.0761
 AlphaG Fr= 1--     -0.0027                -0.0001                -0.0047
 Gamma2 Fr= 1--      0.0503                 0.0987                 0.1013
 Delta2 Fr= 1--     -0.0195                 0.0247                 0.1026
 Raman1 Fr= 1--       3.780                  1.769                  2.379
 ROA1   Fr= 1--       4.206                 10.268                 13.008
 CID1   Fr= 1--       1.113                  5.805                  5.467
 Raman2 Fr= 1--       1.599                  0.754                  0.913
 ROA2   Fr= 1--       1.364                  2.171                  1.611
 CID2   Fr= 1--       0.853                  2.881                  1.765
 Raman3 Fr= 1--       3.197                  1.507                  1.826
 ROA3   Fr= 1--       4.206                 10.268                 13.008
 CID3   Fr= 1--       1.316                  6.811                  7.125
 RC180  Fr= 1--       0.692                  0.705                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1596                 0.1441                 0.4719
  Dep-P Fr= 1--      0.4846                 0.7273                 0.2137
  Dep-U Fr= 1--      0.6529                 0.8421                 0.3521
 Alpha2 Fr= 1--      0.0008                 0.0001                 0.0062
 Beta2  Fr= 1--      0.0174                 0.0202                 0.0277
 AlphaG Fr= 1--      0.0022                 0.0018                -0.0068
 Gamma2 Fr= 1--     -0.0334                -0.1269                -0.0720
 Delta2 Fr= 1--      0.0209                 0.0295                -0.0410
 Raman1 Fr= 1--       0.639                  0.576                  1.888
 ROA1   Fr= 1--      -2.534                -11.242                 -8.219
 CID1   Fr= 1--      -3.968                -19.508                 -4.354
 Raman2 Fr= 1--       0.208                  0.243                  0.332
 ROA2   Fr= 1--      -0.968                 -3.283                 -1.399
 CID2   Fr= 1--      -4.645                -13.528                 -4.211
 Raman3 Fr= 1--       0.417                  0.485                  0.665
 ROA3   Fr= 1--      -2.534                -11.242                 -8.219
 CID3   Fr= 1--      -6.078                -23.166                -12.367
 RC180  Fr= 1--       0.306                  0.684                 -0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0363                 0.2703                 1.2467
  Dep-P Fr= 1--      0.4334                 0.6755                 0.3202
  Dep-U Fr= 1--      0.6047                 0.8063                 0.4851
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.0120
 Beta2  Fr= 1--      0.0037                 0.0363                 0.1008
 AlphaG Fr= 1--      0.0002                -0.0019                 0.0012
 Gamma2 Fr= 1--     -0.0111                 0.1393                -0.1778
 Delta2 Fr= 1--      0.0121                 0.1403                -0.1101
 Raman1 Fr= 1--       0.145                  1.081                  4.987
 ROA1   Fr= 1--      -0.683                 17.862                -20.593
 CID1   Fr= 1--      -4.695                 16.517                 -4.129
 Raman2 Fr= 1--       0.044                  0.436                  1.209
 ROA2   Fr= 1--      -0.364                  2.220                 -3.387
 CID2   Fr= 1--      -8.287                  5.093                 -2.800
 Raman3 Fr= 1--       0.088                  0.872                  2.419
 ROA3   Fr= 1--      -0.683                 17.862                -20.593
 CID3   Fr= 1--      -7.764                 20.485                 -8.513
 RC180  Fr= 1--       0.209                  0.613                 -0.030
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.3844                 3.8899                 1.4712
  Dep-P Fr= 1--      0.3258                 0.1807                 0.7062
  Dep-U Fr= 1--      0.4915                 0.3062                 0.8278
 Alpha2 Fr= 1--      0.0036                 0.0556                 0.0011
 Beta2  Fr= 1--      0.0315                 0.1985                 0.2030
 AlphaG Fr= 1--     -0.0267                 0.0521                 0.0176
 Gamma2 Fr= 1--      0.1001                 0.8669                -1.4412
 Delta2 Fr= 1--     -0.0826                -0.0522                 0.2397
 Raman1 Fr= 1--       1.538                 15.560                  5.885
 ROA1   Fr= 1--       6.964                 81.553               -130.684
 CID1   Fr= 1--       4.529                  5.241                -22.206
 Raman2 Fr= 1--       0.378                  2.382                  2.436
 ROA2   Fr= 1--       3.063                 21.224                -36.507
 CID2   Fr= 1--       8.106                  8.911                -14.988
 Raman3 Fr= 1--       0.756                  4.764                  4.872
 ROA3   Fr= 1--       6.964                 81.553               -130.684
 CID3   Fr= 1--       9.215                 17.120                -26.826
 RC180  Fr= 1--      -0.017                 -0.388                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.4896                 3.0914                13.2559
  Dep-P Fr= 1--      0.7155                 0.1079                 0.0758
  Dep-U Fr= 1--      0.8342                 0.1948                 0.1409
 Alpha2 Fr= 1--      0.0003                 0.0531                 0.2461
 Beta2  Fr= 1--      0.0681                 0.1003                 0.3114
 AlphaG Fr= 1--     -0.0004                 0.0275                 0.2300
 Gamma2 Fr= 1--      0.4305                -0.1244                -1.0041
 Delta2 Fr= 1--      0.2611                -0.0018                 0.1872
 Raman1 Fr= 1--       1.958                 12.366                 53.023
 ROA1   Fr= 1--      49.683                -12.001                -90.401
 CID1   Fr= 1--      25.369                 -0.970                 -1.705
 Raman2 Fr= 1--       0.817                  1.204                  3.737
 ROA2   Fr= 1--       8.243                 -2.972                -25.595
 CID2   Fr= 1--      10.092                 -2.468                 -6.850
 Raman3 Fr= 1--       1.634                  2.408                  7.474
 ROA3   Fr= 1--      49.683                -12.001                -90.401
 CID3   Fr= 1--      30.413                 -4.983                -12.096
 RC180  Fr= 1--       0.668                 -0.610                 -0.718
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.6376                 6.2560                 0.7519
  Dep-P Fr= 1--      0.7490                 0.0609                 0.6201
  Dep-U Fr= 1--      0.8565                 0.1147                 0.7655
 Alpha2 Fr= 1--      0.0000                 0.1204                 0.0018
 Beta2  Fr= 1--      0.0910                 0.1196                 0.0959
 AlphaG Fr= 1--      0.0012                -0.1123                -0.0032
 Gamma2 Fr= 1--     -0.1802                 0.2123                -0.2694
 Delta2 Fr= 1--      0.0602                 0.0515                -0.0592
 Raman1 Fr= 1--       2.550                 25.024                  3.008
 ROA1   Fr= 1--     -15.373                 22.030                -27.759
 CID1   Fr= 1--      -6.028                  0.880                 -9.230
 Raman2 Fr= 1--       1.092                  1.436                  1.151
 ROA2   Fr= 1--      -4.806                  4.684                 -5.993
 CID2   Fr= 1--      -4.400                  3.262                 -5.206
 Raman3 Fr= 1--       2.184                  2.871                  2.302
 ROA3   Fr= 1--     -15.373                 22.030                -27.759
 CID3   Fr= 1--      -7.038                  7.672                -12.057
 RC180  Fr= 1--       0.713                 -0.771                  0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.3210                 4.4659                 1.8416
  Dep-P Fr= 1--      0.5225                 0.7087                 0.7270
  Dep-U Fr= 1--      0.6864                 0.8295                 0.8419
 Alpha2 Fr= 1--      0.0058                 0.0032                 0.0007
 Beta2  Fr= 1--      0.1511                 0.6174                 0.2584
 AlphaG Fr= 1--     -0.0092                -0.0056                -0.0055
 Gamma2 Fr= 1--      0.7019                 0.6781                 0.2008
 Delta2 Fr= 1--      0.4074                -0.0038                 0.1468
 Raman1 Fr= 1--       5.284                 17.864                  7.366
 ROA1   Fr= 1--      80.415                 64.979                 23.969
 CID1   Fr= 1--      15.219                  3.637                  3.254
 Raman2 Fr= 1--       1.813                  7.409                  3.101
 ROA2   Fr= 1--      13.586                 16.306                  3.644
 CID2   Fr= 1--       7.492                  2.201                  1.175
 Raman3 Fr= 1--       3.627                 14.819                  6.202
 ROA3   Fr= 1--      80.415                 64.979                 23.969
 CID3   Fr= 1--      22.172                  4.385                  3.865
 RC180  Fr= 1--       0.373                  0.659                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.0600                 4.0859                 0.8647
  Dep-P Fr= 1--      0.4290                 0.5929                 0.4859
  Dep-U Fr= 1--      0.6004                 0.7444                 0.6541
 Alpha2 Fr= 1--      0.0270                 0.0119                 0.0046
 Beta2  Fr= 1--      0.4063                 0.5069                 0.0943
 AlphaG Fr= 1--     -0.0445                -0.0208                 0.0091
 Gamma2 Fr= 1--      0.5752                -1.1537                -0.2876
 Delta2 Fr= 1--      0.7476                -0.4234                -0.7110
 Raman1 Fr= 1--      16.240                 16.344                  3.459
 ROA1   Fr= 1--      79.139               -124.303                -50.359
 CID1   Fr= 1--       4.873                 -7.606                -14.560
 Raman2 Fr= 1--       4.875                  6.083                  1.131
 ROA2   Fr= 1--       7.824                -24.302                 -1.213
 CID2   Fr= 1--       1.605                 -3.995                 -1.073
 Raman3 Fr= 1--       9.750                 12.166                  2.262
 ROA3   Fr= 1--      79.139               -124.303                -50.359
 CID3   Fr= 1--       8.116                -10.217                -22.260
 RC180  Fr= 1--       0.201                  0.489                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      5.5342                 2.2831                 2.5529
  Dep-P Fr= 1--      0.5507                 0.6869                 0.3362
  Dep-U Fr= 1--      0.7103                 0.8144                 0.5032
 Alpha2 Fr= 1--      0.0211                 0.0025                 0.0234
 Beta2  Fr= 1--      0.6551                 0.3099                 0.2141
 AlphaG Fr= 1--      0.0016                -0.0084                 0.0237
 Gamma2 Fr= 1--      0.1062                -0.6315                -0.6277
 Delta2 Fr= 1--      0.4712                 0.2971                -0.3816
 Raman1 Fr= 1--      22.137                  9.132                 10.212
 ROA1   Fr= 1--      25.271                -51.117                -72.474
 CID1   Fr= 1--       1.142                 -5.597                 -7.097
 Raman2 Fr= 1--       7.862                  3.718                  2.569
 ROA2   Fr= 1--      -1.222                -17.533                -12.013
 CID2   Fr= 1--      -0.155                 -4.715                 -4.676
 Raman3 Fr= 1--      15.724                  7.437                  5.138
 ROA3   Fr= 1--      25.271                -51.117                -72.474
 CID3   Fr= 1--       1.607                 -6.873                -14.105
 RC180  Fr= 1--       0.421                  0.629                  0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.5523                 4.0103                 7.1292
  Dep-P Fr= 1--      0.6692                 0.6808                 0.5769
  Dep-U Fr= 1--      0.8018                 0.8101                 0.7317
 Alpha2 Fr= 1--      0.0051                 0.0049                 0.0232
 Beta2  Fr= 1--      0.4747                 0.5414                 0.8694
 AlphaG Fr= 1--     -0.0101                -0.0060                 0.0939
 Gamma2 Fr= 1--      0.0652                 0.9144                -0.1722
 Delta2 Fr= 1--     -0.5855                 0.1921                -1.4606
 Raman1 Fr= 1--      14.209                 16.041                 28.517
 ROA1   Fr= 1--     -12.478                 93.930                -63.266
 CID1   Fr= 1--      -0.878                  5.856                 -2.219
 Raman2 Fr= 1--       5.697                  6.497                 10.433
 ROA2   Fr= 1--       6.248                 20.408                  7.553
 CID2   Fr= 1--       1.097                  3.141                  0.724
 Raman3 Fr= 1--      11.394                 12.995                 20.866
 ROA3   Fr= 1--     -12.478                 93.930                -63.266
 CID3   Fr= 1--      -1.095                  7.228                 -3.032
 RC180  Fr= 1--       0.604                  0.620                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.9040                 3.6407                 0.1673
  Dep-P Fr= 1--      0.6994                 0.4286                 0.7469
  Dep-U Fr= 1--      0.8231                 0.6000                 0.8551
 Alpha2 Fr= 1--      0.0034                 0.0243                 0.0000
 Beta2  Fr= 1--      0.5356                 0.3641                 0.0238
 AlphaG Fr= 1--     -0.0023                 0.0272                 0.0000
 Gamma2 Fr= 1--     -1.3668                 1.0296                 0.0071
 Delta2 Fr= 1--      0.1492                -0.0399                -0.0237
 Raman1 Fr= 1--      15.616                 14.563                  0.669
 ROA1   Fr= 1--    -126.439                 97.563                 -0.079
 CID1   Fr= 1--      -8.097                  6.700                 -0.118
 Raman2 Fr= 1--       6.427                  4.369                  0.286
 ROA2   Fr= 1--     -33.997                 25.030                  0.360
 CID2   Fr= 1--      -5.290                  5.729                  1.258
 Raman3 Fr= 1--      12.854                  8.738                  0.572
 ROA3   Fr= 1--    -126.439                 97.563                 -0.079
 CID3   Fr= 1--      -9.837                 11.166                 -0.138
 RC180  Fr= 1--       0.646                  0.200                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.3108                 8.2523                 1.9489
  Dep-P Fr= 1--      0.7236                 0.7482                 0.7172
  Dep-U Fr= 1--      0.8396                 0.8560                 0.8353
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0011
 Beta2  Fr= 1--      0.0435                 1.1773                 0.2713
 AlphaG Fr= 1--      0.0005                 0.0032                 0.0037
 Gamma2 Fr= 1--     -0.2625                -0.0200                 0.1365
 Delta2 Fr= 1--      0.1498                -0.4234                 0.1094
 Raman1 Fr= 1--       1.243                 33.009                  7.795
 ROA1   Fr= 1--     -20.406                -15.470                 16.600
 CID1   Fr= 1--     -16.413                 -0.469                  2.129
 Raman2 Fr= 1--       0.522                 14.128                  3.256
 ROA2   Fr= 1--      -7.499                  2.908                  2.400
 CID2   Fr= 1--     -14.367                  0.206                  0.737
 Raman3 Fr= 1--       1.044                 28.255                  6.512
 ROA3   Fr= 1--     -20.406                -15.470                 16.600
 CID3   Fr= 1--     -19.548                 -0.548                  2.549
 RC180  Fr= 1--       0.679                  0.712                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.7276                 4.3984                 2.7130
  Dep-P Fr= 1--      0.7341                 0.7497                 0.5850
  Dep-U Fr= 1--      0.8467                 0.8569                 0.7381
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0084
 Beta2  Fr= 1--      0.3849                 0.6282                 0.3338
 AlphaG Fr= 1--      0.0045                -0.0005                -0.0108
 Gamma2 Fr= 1--     -0.0676                -0.7012                -0.1751
 Delta2 Fr= 1--      0.3362                -0.1706                 0.1436
 Raman1 Fr= 1--      10.910                 17.594                 10.852
 ROA1   Fr= 1--       4.274                -72.775                -12.218
 CID1   Fr= 1--       0.392                 -4.136                 -1.126
 Raman2 Fr= 1--       4.619                  7.538                  4.005
 ROA2   Fr= 1--      -4.311                -15.464                 -5.352
 CID2   Fr= 1--      -0.933                 -2.051                 -1.336
 Raman3 Fr= 1--       9.238                 15.077                  8.010
 ROA3   Fr= 1--       4.274                -72.775                -12.218
 CID3   Fr= 1--       0.463                 -4.827                 -1.525
 RC180  Fr= 1--       0.693                  0.714                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     13.9126                30.8616               289.2770
  Dep-P Fr= 1--      0.1647                 0.0516                 0.0084
  Dep-U Fr= 1--      0.2828                 0.0982                 0.0168
 Alpha2 Fr= 1--      0.2072                 0.6073                 6.3027
 Beta2  Fr= 1--      0.6556                 0.5050                 0.8077
 AlphaG Fr= 1--     -0.1219                 0.0684                -0.1820
 Gamma2 Fr= 1--      1.0215                -1.7403                 1.1395
 Delta2 Fr= 1--     -1.3068                -1.4457                 0.9574
 Raman1 Fr= 1--      55.651                123.446               1157.108
 ROA1   Fr= 1--      56.245               -213.334                140.027
 CID1   Fr= 1--       1.011                 -1.728                  0.121
 Raman2 Fr= 1--       7.868                  6.059                  9.692
 ROA2   Fr= 1--      34.970                -30.203                 19.688
 CID2   Fr= 1--       4.445                 -4.984                  2.031
 Raman3 Fr= 1--      15.736                 12.119                 19.384
 ROA3   Fr= 1--      56.245               -213.334                140.027
 CID3   Fr= 1--       3.574                -17.603                  7.224
 RC180  Fr= 1--      -0.434                 -0.804                 -0.966
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     66.6854               122.5716                61.7641
  Dep-P Fr= 1--      0.6199                 0.0811                 0.7443
  Dep-U Fr= 1--      0.7654                 0.1500                 0.8534
 Alpha2 Fr= 1--      0.1587                 2.2472                 0.0060
 Beta2  Fr= 1--      8.5063                 3.0638                 8.7849
 AlphaG Fr= 1--      0.0256                -0.1521                -0.0231
 Gamma2 Fr= 1--      5.1510                -8.1050                 5.4932
 Delta2 Fr= 1--      4.6269                -5.2399                 4.3321
 Raman1 Fr= 1--     266.742                490.286                247.056
 ROA1   Fr= 1--     642.556               -945.751                665.972
 CID1   Fr= 1--       2.409                 -1.929                  2.696
 Raman2 Fr= 1--     102.076                 36.765                105.418
 ROA2   Fr= 1--      86.608               -152.600                 97.179
 CID2   Fr= 1--       0.848                 -4.151                  0.922
 Raman3 Fr= 1--     204.152                 73.530                210.837
 ROA3   Fr= 1--     642.556               -945.751                665.972
 CID3   Fr= 1--       3.147                -12.862                  3.159
 RC180  Fr= 1--       0.531                 -0.700                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     35.4764                92.9035                46.8731
  Dep-P Fr= 1--      0.6128                 0.6061                 0.7024
  Dep-U Fr= 1--      0.7600                 0.7548                 0.8252
 Alpha2 Fr= 1--      0.0894                 0.2466                 0.0388
 Beta2  Fr= 1--      4.4934                11.6867                 6.4466
 AlphaG Fr= 1--     -0.1137                 0.0059                -0.0695
 Gamma2 Fr= 1--     -5.1023                 4.5640                -4.0456
 Delta2 Fr= 1--     -5.0900                 6.8831                -3.9729
 Raman1 Fr= 1--     141.905                371.614                187.493
 ROA1   Fr= 1--    -652.702                658.409               -515.509
 CID1   Fr= 1--      -4.600                  1.772                 -2.749
 Raman2 Fr= 1--      53.921                140.240                 77.359
 ROA2   Fr= 1--     -81.736                 54.472                -65.311
 CID2   Fr= 1--      -1.516                  0.388                 -0.844
 Raman3 Fr= 1--     107.841                280.480                154.719
 ROA3   Fr= 1--    -652.702                658.409               -515.509
 CID3   Fr= 1--      -6.052                  2.347                 -3.332
 RC180  Fr= 1--       0.520                  0.510                  0.650
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--    109.8757                44.8763               143.3479
  Dep-P Fr= 1--      0.1075                 0.6810                 0.2302
  Dep-U Fr= 1--      0.1941                 0.8102                 0.3742
 Alpha2 Fr= 1--      1.8888                 0.0546                 1.7946
 Beta2  Fr= 1--      3.5545                 6.0600                 8.9413
 AlphaG Fr= 1--      0.6506                 0.1853                 0.0789
 Gamma2 Fr= 1--      1.8126                 1.8764                 2.6429
 Delta2 Fr= 1--     -0.2175                 0.8520                -0.9916
 Raman1 Fr= 1--     439.503                179.505                573.392
 ROA1   Fr= 1--     167.047                207.398                221.985
 CID1   Fr= 1--       0.380                  1.155                  0.387
 Raman2 Fr= 1--      42.654                 72.720                107.296
 ROA2   Fr= 1--      45.242                 38.217                 71.361
 CID2   Fr= 1--       1.061                  0.526                  0.665
 Raman3 Fr= 1--      85.308                145.440                214.591
 ROA3   Fr= 1--     167.047                207.398                221.985
 CID3   Fr= 1--       1.958                  1.426                  1.034
 RC180  Fr= 1--      -0.612                  0.620                 -0.252
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885177D+02  0.740756D+00 -0.253282D+01
      2   0.740756D+00  0.765263D+02  0.192979D+01
      3  -0.253282D+01  0.192979D+01  0.742640D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.762727D+00 -0.135503D+01  0.163007D+01
      2   0.681351D+01 -0.749330D+01  0.328634D+02
      3   0.525307D+01 -0.252764D+02  0.853235D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.672023D+02 -0.189782D+02  0.528171D+01
      2  -0.378190D+02  0.207052D+02 -0.111265D+02
      3  -0.293832D+02 -0.172707D+01  0.584484D+01
      4  -0.232561D+02  0.380137D+02 -0.188206D+02
      5   0.114622D+02 -0.218849D+02  0.622006D+02
      6  -0.509091D+01  0.921307D+00 -0.967287D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.305750D+00  0.295230D+01 -0.332761D+01  0.496757D+01 -0.364701D+01
      2   0.295230D+01 -0.286768D+01  0.108862D+00 -0.364701D+01 -0.320358D+01
      3  -0.332761D+01  0.108862D+00  0.680919D+00  0.171663D-01 -0.202072D+01
                 6             7             8             9            10 
      1   0.171663D-01 -0.470651D+01  0.463509D+00 -0.710143D+00  0.225683D+01
      2  -0.202072D+01  0.463509D+00 -0.206119D+01  0.166373D+00 -0.245011D+01
      3   0.584898D+00 -0.710143D+00  0.166373D+00  0.766619D+01  0.408091D+01
                11            12            13            14            15 
      1  -0.245011D+01  0.408091D+01 -0.690471D+01  0.288511D+01  0.147124D+00
      2   0.330586D+01  0.265736D+00  0.288511D+01  0.438349D+01  0.273907D+01
      3   0.265736D+00 -0.418247D+00  0.147124D+00  0.273907D+01  0.538961D+00
                16            17            18            19            20 
      1   0.609432D+01  0.137866D+00  0.170630D+00 -0.297856D+01  0.337915D+01
      2   0.137866D+00  0.277100D+01  0.123518D+01  0.337915D+01 -0.103052D+01
      3   0.170630D+00  0.123518D+01 -0.542422D+01 -0.254105D+01  0.802225D-01
                21            22            23            24            25 
      1  -0.254105D+01  0.722474D+01 -0.259218D+00 -0.109107D+00 -0.237401D+01
      2   0.802225D-01 -0.259218D+00 -0.103201D+01 -0.121888D+01  0.389699D+00
      3  -0.424805D+00 -0.109107D+00 -0.121888D+01  0.131887D+01 -0.846414D+00
                26            27            28            29            30 
      1   0.389699D+00 -0.846414D+00 -0.167780D+01 -0.161238D+01  0.155744D+01
      2  -0.101183D+01  0.436848D-01 -0.161238D+01  0.107527D+01  0.177473D+01
      3   0.436848D-01  0.646318D+01  0.155744D+01  0.177473D+01  0.561852D+00
                31            32            33            34            35 
      1   0.309304D+01  0.130832D+01  0.161827D+01  0.176226D+01  0.241381D+01
      2   0.130832D+01  0.301743D+01  0.177346D+01  0.241381D+01  0.224087D+01
      3   0.161827D+01  0.177346D+01  0.933266D+00  0.379029D+00 -0.334020D-01
                36            37            38            39            40 
      1   0.379029D+00  0.534983D+01  0.312590D+01 -0.120248D+01  0.482584D+01
      2  -0.334020D-01  0.312590D+01  0.379240D-01 -0.875338D+00 -0.906275D+00
      3  -0.957406D-01 -0.120248D+01 -0.875338D+00  0.740126D+00 -0.165027D+01
                41            42            43            44            45 
      1  -0.906275D+00 -0.165027D+01 -0.175656D+00 -0.134852D+01 -0.498810D+00
      2   0.310684D+01  0.787355D+00 -0.134852D+01  0.398237D+00  0.138657D+01
      3   0.787355D+00  0.152359D+01 -0.498810D+00  0.138657D+01  0.272200D+01
                46            47            48            49            50 
      1   0.137391D+01  0.351867D+01 -0.463087D+01  0.386607D+01 -0.325822D+01
      2   0.351867D+01 -0.309590D+01  0.141676D+00 -0.325822D+01 -0.180300D+01
      3  -0.463087D+01  0.141676D+00  0.449494D+00  0.116556D+00 -0.374890D+01
                51            52            53            54            55 
      1   0.116556D+00 -0.363471D+01 -0.114057D+00  0.303790D+00  0.304427D+01
      2  -0.374890D+01 -0.114057D+00 -0.291253D+01 -0.649698D+00 -0.153536D+01
      3   0.222776D+00  0.303790D+00 -0.649698D+00  0.354269D+01  0.113559D+01
                56            57            58            59            60 
      1  -0.153536D+01  0.113559D+01 -0.133943D+01  0.309879D+01 -0.665902D+00
      2   0.430353D+01 -0.814030D+00  0.309879D+01  0.191281D+01  0.114484D+01
      3  -0.814030D+00  0.207092D+01 -0.665902D+00  0.114484D+01 -0.121712D+01
                61            62            63            64            65 
      1   0.140809D+01 -0.109303D+01  0.220856D+01 -0.330747D+01 -0.301761D+01
      2  -0.109303D+01  0.117781D+01 -0.933920D+00 -0.301761D+01 -0.271270D+01
      3   0.220856D+01 -0.933920D+00 -0.355896D+01 -0.196567D+01 -0.133753D+01
                66            67            68            69            70 
      1  -0.196567D+01 -0.634448D+01 -0.316028D+01 -0.113304D+01 -0.307381D+01
      2  -0.133753D+01 -0.316028D+01 -0.939101D+01 -0.278038D+01 -0.144486D+01
      3  -0.131507D+01 -0.113304D+01 -0.278038D+01 -0.280997D+01 -0.180842D+01
                71            72            73            74            75 
      1  -0.144486D+01 -0.180842D+01  0.585564D+00 -0.396103D+00 -0.882661D+00
      2  -0.273110D+01 -0.281061D+01 -0.396103D+00  0.230392D+00 -0.102432D+00
      3  -0.281061D+01 -0.381602D+01 -0.882661D+00 -0.102432D+00  0.266109D+00
                76            77            78            79            80 
      1  -0.119951D+01  0.149733D+00  0.213520D-01 -0.149007D+01 -0.128825D+00
      2   0.149733D+00  0.544080D+00 -0.108227D+01 -0.128825D+00 -0.144391D+01
      3   0.213520D-01 -0.108227D+01 -0.429725D-01  0.232169D+00  0.536227D+00
                81            82            83            84            85 
      1   0.232169D+00 -0.128131D+01 -0.790078D+00 -0.988788D+00 -0.110115D+01
      2   0.536227D+00 -0.790078D+00 -0.105894D+01 -0.389576D-01 -0.901320D+00
      3  -0.865813D+01 -0.988788D+00 -0.389576D-01 -0.274551D+00 -0.739381D-01
                86            87            88            89            90 
      1  -0.901320D+00 -0.739381D-01 -0.145000D+01 -0.112175D+00 -0.122932D+00
      2  -0.703255D+01 -0.171310D+01 -0.112175D+00 -0.173080D+01 -0.156519D+01
      3  -0.171310D+01 -0.183790D+01 -0.122932D+00 -0.156519D+01 -0.643853D+00
                91            92            93            94            95 
      1  -0.937264D+01 -0.950722D+00  0.282647D+01 -0.407127D+01 -0.155606D+01
      2  -0.950722D+00 -0.140494D+01  0.119108D+00 -0.155606D+01 -0.649213D+00
      3   0.282647D+01  0.119108D+00 -0.191811D+01  0.141153D+01  0.584057D+00
                96            97            98            99           100 
      1   0.141153D+01  0.187178D+01  0.260933D+00 -0.151585D+01 -0.180092D+01
      2   0.584057D+00  0.260933D+00  0.518011D+00 -0.688523D-01  0.253141D+01
      3  -0.882759D+00 -0.151585D+01 -0.688523D-01  0.139086D+01 -0.110241D+01
               101           102           103           104           105 
      1   0.253141D+01 -0.110241D+01  0.219916D+01 -0.279424D+01  0.920916D+00
      2  -0.336442D+01  0.114545D+01 -0.279424D+01  0.534222D+01 -0.158116D+01
      3   0.114545D+01 -0.104157D+01  0.920916D+00 -0.158116D+01  0.130437D+01
               106           107           108           109           110 
      1  -0.174481D+01  0.149675D+01 -0.123105D+01 -0.137660D+00  0.544242D+00
      2   0.149675D+01 -0.267853D+01  0.174265D+01  0.544242D+00 -0.258037D+00
      3  -0.123105D+01  0.174265D+01 -0.152607D+01  0.292529D+00 -0.317909D+00
               111           112           113           114           115 
      1   0.292529D+00  0.357643D+00 -0.174481D+00 -0.325052D+00  0.961379D+00
      2  -0.317909D+00 -0.174481D+00  0.111116D+01  0.970878D+00 -0.545584D+00
      3  -0.704568D+00 -0.325052D+00  0.970878D+00  0.852925D+00 -0.664538D+00
               116           117           118           119           120 
      1  -0.545584D+00 -0.664538D+00  0.955162D+00  0.650280D+00  0.120691D+01
      2   0.218207D+01  0.151255D+01  0.650280D+00  0.132283D+01  0.519428D+00
      3   0.151255D+01  0.535270D+01  0.120691D+01  0.519428D+00  0.997823D+00
               121           122           123           124           125 
      1   0.126940D+01  0.119288D+01  0.868690D+00  0.942101D+00  0.415424D+00
      2   0.119288D+01  0.465502D+01  0.220221D+01  0.415424D+00  0.176114D+01
      3   0.868690D+00  0.220221D+01  0.308532D+01  0.608669D+00  0.157362D+01
               126           127           128           129           130 
      1   0.608669D+00 -0.533778D+01 -0.137445D+01  0.244272D+01 -0.143379D+01
      2   0.157362D+01 -0.137445D+01 -0.108164D+01  0.952970D+00 -0.640018D+00
      3   0.206703D+01  0.244272D+01  0.952970D+00 -0.331122D+01  0.602010D+00
               131           132           133           134           135 
      1  -0.640018D+00  0.602010D+00  0.189919D+01  0.515953D+00 -0.188274D+01
      2  -0.948785D+00  0.129218D+01  0.515953D+00  0.937472D+00 -0.735964D+00
      3   0.129218D+01 -0.107457D+01 -0.188274D+01 -0.735964D+00  0.245405D+01
               136           137           138           139           140 
      1   0.398188D+01 -0.265246D+01  0.248600D+01 -0.289704D+01  0.263505D+01
      2  -0.265246D+01  0.257592D+01 -0.139317D+01  0.263505D+01 -0.349944D+01
      3   0.248600D+01 -0.139317D+01  0.230328D+01 -0.140644D+01  0.232685D+01
               141           142           143           144           145 
      1  -0.140644D+01  0.141017D+01 -0.918485D+00  0.151759D+01  0.151764D+01
      2   0.232685D+01 -0.918485D+00  0.151353D+01 -0.139768D+01  0.126764D+01
      3  -0.224538D+01  0.151759D+01 -0.139768D+01  0.176710D+01  0.466469D+00
               146           147           148           149           150 
      1   0.126764D+01  0.466469D+00  0.294573D+01  0.232519D+01 -0.162208D+00
      2   0.160425D+01  0.785275D-01  0.232519D+01  0.579135D+01  0.605037D+00
      3   0.785275D-01  0.254057D+00 -0.162208D+00  0.605037D+00  0.129456D+01
               151           152           153           154           155 
      1   0.128916D+01  0.326694D+00  0.551336D+00  0.688689D+01 -0.292814D+01
      2   0.326694D+00  0.116458D+01  0.844258D+00 -0.292814D+01  0.219370D+01
      3   0.551336D+00  0.844258D+00 -0.149488D+00  0.963282D+00 -0.359272D+00
               156           157           158           159           160 
      1   0.963282D+00 -0.490323D+01  0.301121D+01 -0.249825D+00  0.299463D+01
      2  -0.359272D+00  0.301121D+01 -0.245752D+01  0.649524D+00 -0.744964D+00
      3   0.975985D+00 -0.249825D+00  0.649524D+00 -0.113422D+01  0.118143D+01
               161           162           163           164           165 
      1  -0.744964D+00  0.118143D+01  0.247910D+00 -0.262168D+00 -0.816803D+00
      2   0.964510D+00 -0.758631D+00 -0.262168D+00  0.225119D+00  0.519190D-01
      3  -0.758631D+00  0.189768D+00 -0.816803D+00  0.519190D-01  0.107586D+00
               166           167           168           169           170 
      1  -0.554585D+00  0.690843D+00  0.521831D-01 -0.198349D+01  0.298752D-01
      2   0.690843D+00  0.152707D+00 -0.930043D+00  0.298752D-01 -0.105936D+01
      3   0.521831D-01 -0.930043D+00 -0.414644D+00  0.212769D+01 -0.871586D-01
               171 
      1   0.212769D+01
      2  -0.871586D-01
      3  -0.974308D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.266212D+01  0.232774D+01  0.739816D-01  0.343829D+01  0.222823D+01
      2  -0.943632D+01  0.298045D+01  0.443513D+00  0.431304D+01 -0.864427D+01
      3  -0.774942D+01  0.566954D+01  0.547788D+00  0.138176D+02  0.109151D+02
                 6             7             8             9            10 
      1  -0.525452D+00  0.737946D+00  0.320432D+01 -0.357966D+00  0.356892D+01
      2   0.127795D+01 -0.975103D+01  0.701778D+00  0.222380D+02  0.858485D+01
      3   0.478863D+01 -0.148973D+01  0.601957D+01 -0.103272D+01  0.302952D+01
                11            12            13            14            15 
      1  -0.597877D+00  0.228578D+00 -0.774307D+00  0.336633D+01 -0.423911D+01
      2  -0.732889D+00  0.442548D+01 -0.505206D+01  0.370225D+01  0.232263D+00
      3  -0.422025D+01 -0.132925D+01  0.122976D+01 -0.980102D+01 -0.441037D+01
                16            17            18            19            20 
      1  -0.358609D+00  0.247681D+01 -0.264105D+01 -0.472732D+01  0.215099D+00
      2  -0.190882D+01  0.141145D+01 -0.568772D+01 -0.640581D-01  0.458629D+00
      3  -0.566303D+00 -0.365353D+01 -0.284337D+00 -0.135629D+01 -0.512205D+01
                21            22            23            24            25 
      1  -0.919752D+00 -0.123485D+01  0.133445D+01  0.248629D+01 -0.409363D+00
      2  -0.917557D-02  0.850053D+01 -0.192908D+00  0.955103D+00 -0.717415D+01
      3   0.178513D+01  0.497979D+00  0.407834D+00  0.335088D+01 -0.876705D+00
                26            27            28            29            30 
      1   0.520259D+01 -0.206454D+01  0.143719D+01 -0.809583D-01  0.209670D+01
      2  -0.292288D+00 -0.255260D+01 -0.104286D+02 -0.143902D+01 -0.257511D+01
      3   0.178724D+01 -0.520105D-01 -0.481801D+01  0.279518D+01 -0.175227D+01
                31            32            33            34            35 
      1   0.252168D+01 -0.659331D+01  0.119053D+01 -0.302974D+01  0.144770D+01
      2   0.101431D+02 -0.112691D+01 -0.516617D+01 -0.114374D+02 -0.317069D+01
      3   0.509620D+01  0.105266D+02 -0.186291D-01 -0.638336D+01 -0.311889D+01
                36            37            38            39            40 
      1   0.874123D+01  0.587315D+00  0.278022D+00  0.183849D+01  0.214293D+01
      2   0.382797D+01  0.260994D+01  0.224997D+00  0.150591D+01 -0.778022D+00
      3   0.192382D+01  0.536936D+01 -0.139266D+01 -0.572924D+00  0.482441D+01
                41            42            43            44            45 
      1   0.260443D+01 -0.273910D+01  0.146976D+01  0.340555D+01 -0.196845D+01
      2  -0.368373D+01 -0.311071D+01 -0.166054D+01 -0.310275D+01 -0.695859D+01
      3   0.900270D+01  0.132260D+01  0.281819D+01  0.235046D+01  0.178376D+01
                46            47            48            49            50 
      1   0.358034D+01 -0.598519D+01  0.758625D+00 -0.614325D+01 -0.606599D+01
      2  -0.109268D+02 -0.688909D+01  0.130994D+02 -0.531105D+01  0.653052D+00
      3  -0.635636D+01 -0.193642D+00  0.279399D+01  0.387846D+01  0.512560D+01
                51            52            53            54            55 
      1  -0.111779D+02  0.370803D-01 -0.460594D+01  0.257061D+01 -0.154588D+01
      2  -0.146715D+00  0.589573D+01 -0.607941D+00  0.301613D+01  0.109957D+01
      3   0.479161D+01  0.258637D+01  0.367043D+01  0.524592D+00  0.773514D+01
                56            57            58            59            60 
      1   0.150020D+01 -0.622453D+01  0.130921D+01 -0.467760D+01 -0.344367D+01
      2   0.175397D+01  0.463286D+01 -0.201820D+01  0.705346D-01  0.273985D+00
      3  -0.107708D+02  0.134956D+01  0.367646D+01  0.763756D+01 -0.356928D+01
                61            62            63            64            65 
      1  -0.398985D+01  0.755125D+01  0.918121D+01  0.163625D+01  0.295408D+01
      2  -0.962666D+00  0.346417D+00 -0.662405D+00  0.765425D+00  0.873731D+00
      3   0.341630D+01 -0.232746D+01  0.563106D+01  0.140053D+01 -0.571726D+01
                66            67            68            69            70 
      1  -0.352656D+01  0.443634D-01  0.520152D+01 -0.760324D+01  0.114109D+01
      2   0.587646D+01 -0.945460D+01  0.287083D+01  0.603394D+01 -0.344246D+00
      3  -0.948901D+00  0.427472D+01 -0.159645D+02 -0.328173D+01  0.869182D+00
                71            72            73            74            75 
      1   0.420146D+01 -0.340719D+01  0.782692D+00 -0.318676D+00 -0.333390D-01
      2   0.592216D+01  0.434376D+01  0.103834D+01 -0.257791D+00  0.146716D+00
      3  -0.187781D+01 -0.457425D+01  0.110695D+01 -0.385503D+00 -0.788145D+00
                76            77            78            79            80 
      1  -0.478307D-02 -0.791199D+00 -0.233340D+00  0.110977D+00  0.341533D+01
      2  -0.944759D+00  0.487975D+00  0.873547D-01 -0.369982D+01  0.696101D-02
      3   0.124609D+01  0.188814D-01 -0.596073D+00 -0.432970D+00 -0.552644D+00
                81            82            83            84            85 
      1   0.175026D+01 -0.145617D+01  0.134698D+00 -0.585109D+00 -0.195841D+00
      2   0.917608D+00 -0.219117D+01 -0.358856D+00 -0.234747D-01 -0.883473D+00
      3  -0.687402D-02  0.337768D+01  0.128746D+01  0.100733D+01  0.551247D+01
                86            87            88            89            90 
      1   0.233556D-01 -0.360156D+01 -0.229383D+00  0.254962D+00 -0.521989D+00
      2  -0.188426D+01 -0.179640D+01 -0.231975D+01 -0.171294D+01 -0.678371D+00
      3   0.863922D+01  0.236876D+01  0.222404D+01  0.221963D+01  0.203677D+01
                91            92            93            94            95 
      1  -0.142647D+01 -0.159410D+01  0.118632D+00 -0.516709D+00 -0.111017D+01
      2  -0.183857D+01  0.556337D+00  0.489083D+01 -0.169862D+01 -0.564405D+00
      3  -0.383121D+01 -0.526780D+01  0.954412D+00 -0.264790D+01 -0.331750D+01
                96            97            98            99           100 
      1  -0.427352D+00  0.780674D+00  0.611244D+00 -0.379029D+00  0.157160D+01
      2   0.263994D+01  0.120200D+01  0.304944D+00 -0.220335D+01 -0.114854D+01
      3   0.877346D+00  0.176779D+01  0.174540D+01 -0.705215D+00 -0.565990D+01
               101           102           103           104           105 
      1  -0.178672D+01  0.331964D+01 -0.152655D+01  0.161820D+01 -0.343587D+01
      2   0.566172D+00  0.490351D+00  0.742479D+00 -0.650574D+00 -0.425008D+00
      3   0.468656D+01 -0.274392D+01  0.778091D+01 -0.640067D+01  0.297111D+01
               106           107           108           109           110 
      1   0.211858D+01 -0.171537D+01  0.252546D+01 -0.835694D+00  0.782499D+00
      2  -0.154000D+01  0.268412D+00 -0.324402D-01  0.670796D+00  0.134834D+00
      3  -0.474868D+01  0.378281D+01 -0.328619D+01 -0.597575D+00  0.122321D+00
               111           112           113           114           115 
      1   0.205967D+01  0.100970D+01 -0.245947D+01 -0.228541D+01  0.149067D+01
      2  -0.386239D+00  0.108325D+00 -0.116701D+00  0.441553D+00 -0.266193D+01
      3   0.860934D+00  0.937095D+00 -0.680964D+00 -0.987203D+00  0.290001D+01
               116           117           118           119           120 
      1  -0.182113D+01 -0.146075D+02  0.178124D+01  0.294823D+01  0.106011D+01
      2   0.543093D+00  0.972087D+00  0.296050D+00 -0.430617D+00  0.556135D+00
      3  -0.132119D+01 -0.233607D+01 -0.527114D+00 -0.277990D+01 -0.110997D+01
               121           122           123           124           125 
      1   0.220755D+01  0.126351D+02  0.344986D+01  0.134551D+01  0.575079D+01
      2  -0.236100D+01  0.106635D+01  0.328547D+01 -0.210651D+01  0.113931D+01
      3   0.749818D-01 -0.777096D+01 -0.275927D+01 -0.544341D+00 -0.237508D+01
               126           127           128           129           130 
      1   0.361762D+01 -0.572117D+00 -0.229634D+01 -0.141337D+01 -0.949695D+00
      2   0.161586D+01  0.162558D+02  0.352727D+01 -0.578948D+01  0.360868D+01
      3  -0.230660D+01  0.646466D+01  0.359981D+00 -0.242000D+01  0.297517D+01
               131           132           133           134           135 
      1  -0.531710D+00  0.483031D+00 -0.478108D+00  0.243301D+01  0.468402D+00
      2   0.251281D+01 -0.182788D+01 -0.783667D+01 -0.183903D+01  0.513474D+01
      3   0.984758D+00 -0.173663D+01 -0.219042D+01 -0.550223D+00  0.209917D+01
               136           137           138           139           140 
      1  -0.288034D+01  0.458412D+01  0.358319D+00  0.356706D+01 -0.467643D+01
      2  -0.392972D+01  0.261964D+01  0.133324D+01  0.406263D+01 -0.130626D+01
      3   0.202527D-01 -0.312489D+01  0.416785D+00  0.352416D+00  0.338401D+01
               141           142           143           144           145 
      1   0.350395D+00 -0.824927D+00  0.284471D+01 -0.814473D+00 -0.107296D+01
      2  -0.154252D+01 -0.265966D+01  0.653681D-01  0.212914D+00  0.247442D+01
      3  -0.210129D+01 -0.533194D+00 -0.180189D+01  0.748293D+00 -0.420601D+01
               146           147           148           149           150 
      1  -0.145957D+01 -0.625074D+00 -0.139929D+01 -0.437483D+01 -0.277352D+01
      2   0.116360D+01  0.176981D+01  0.120314D+01  0.415530D+01  0.453960D+01
      3  -0.509144D+01 -0.111007D+00 -0.279388D+01 -0.186543D+02 -0.234950D+01
               151           152           153           154           155 
      1  -0.486602D+00  0.246758D-01 -0.872278D+00  0.223395D+01 -0.148492D+01
      2   0.731580D+00  0.245798D+01  0.381351D+00  0.738999D+01 -0.361498D+01
      3  -0.219835D+00 -0.390352D+01 -0.213052D+01  0.544887D+01 -0.790864D+01
               156           157           158           159           160 
      1   0.144120D+01 -0.186523D+01  0.162449D+01 -0.233891D+01  0.733091D+00
      2   0.590419D+01 -0.385032D+01  0.412718D+01 -0.471160D+01  0.397230D+01
      3   0.104966D+01 -0.578217D+01  0.705064D+01 -0.194736D+01  0.111707D+01
               161           162           163           164           165 
      1  -0.179269D+00  0.944551D+00 -0.424935D-03 -0.120348D+00 -0.262196D-01
      2  -0.261125D+01  0.197726D+01 -0.248826D+01 -0.172137D+00  0.840312D+00
      3  -0.329944D+01  0.188669D+01  0.778371D+00 -0.120867D+01  0.457656D-01
               166           167           168           169           170 
      1  -0.363419D+00 -0.319641D+00 -0.267384D+00  0.211769D+00  0.375976D+01
      2  -0.329799D+00 -0.147624D+01 -0.104016D+01  0.221382D-02 -0.203112D+00
      3  -0.691426D+00 -0.730853D+00  0.201993D+01  0.286576D+00  0.320614D+01
               171 
      1  -0.119984D+01
      2  -0.245957D+02
      3   0.806258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228492D+01  0.172806D+02 -0.185007D+02  0.216967D+02 -0.219598D+02
      2  -0.430781D+01 -0.691296D+01  0.805253D+01 -0.103515D+02  0.559783D+01
      3   0.659273D+01 -0.103676D+02  0.104482D+02 -0.113452D+02  0.163620D+02
      4   0.213944D+02 -0.179743D+02  0.258428D+01 -0.269136D+02 -0.152192D+02
      5  -0.187692D+02 -0.632852D+00  0.439786D+01 -0.157976D+01 -0.857442D+01
      6  -0.507564D+00  0.178540D+01 -0.128000D+00  0.179097D+01  0.396204D+01
                 6             7             8             9            10 
      1   0.977465D+00 -0.225703D+02  0.279560D+01  0.984505D+01 -0.865833D+01
      2   0.110190D+00  0.702411D+01 -0.652185D+00  0.109506D+02 -0.327743D+00
      3  -0.108766D+01  0.155462D+02 -0.214341D+01 -0.207957D+02  0.898608D+01
      4  -0.100938D+02  0.528421D+01 -0.120830D+02  0.298958D+01 -0.844512D+01
      5   0.150221D+01 -0.181521D+00  0.146601D+01  0.339542D+02  0.125158D+02
      6   0.142830D+01  0.748605D+00  0.160733D+01 -0.533974D+01 -0.547386D+01
                11            12            13            14            15 
      1  -0.511837D+01  0.113275D+02 -0.639940D+01  0.149474D+02  0.381264D+01
      2   0.100091D+01 -0.810079D+01  0.292336D+01 -0.183599D+02 -0.687636D+01
      3   0.411747D+01 -0.322671D+01  0.347605D+01  0.341250D+01  0.306372D+01
      4   0.646190D+01 -0.230424D+01  0.173400D+02  0.678990D+01  0.557870D+01
      5   0.866974D+00 -0.461759D+00  0.270294D+01  0.565635D+01  0.208480D+01
      6   0.281055D-02  0.116212D+00  0.111284D+01 -0.867829D+01  0.269256D+01
                16            17            18            19            20 
      1   0.156038D+02  0.277301D+01  0.448726D+01 -0.149711D+02 -0.149570D+01
      2  -0.744800D+01 -0.346229D+01 -0.174779D+01  0.179276D+02  0.686305D+00
      3  -0.815584D+01  0.689286D+00 -0.273947D+01 -0.295650D+01  0.809391D+00
      4  -0.335816D+01  0.505510D+01  0.164083D+01  0.516802D+01  0.201125D+01
      5  -0.468072D+00  0.268127D+01 -0.144431D+02  0.443982D+01 -0.314441D+00
      6  -0.721083D+00 -0.242484D+01  0.213269D+01  0.432667D+01 -0.439905D+00
                21            22            23            24            25 
      1   0.205686D+01 -0.295910D+01  0.210049D+00  0.436676D+01 -0.869913D+01
      2  -0.352662D-02  0.104052D+01 -0.379542D+01 -0.258063D+01  0.286646D+01
      3  -0.205333D+01  0.191858D+01  0.358537D+01 -0.178613D+01  0.583267D+01
      4   0.214721D+01 -0.123368D+02  0.175952D+01  0.441222D-01  0.490810D+00
      5  -0.857329D-01  0.334256D+01  0.746098D+00 -0.144916D+00  0.115522D+01
      6   0.123274D+00 -0.237117D+00  0.174097D+01 -0.443010D+01 -0.166706D+01
                26            27            28            29            30 
      1   0.135426D+01  0.106843D+02  0.923135D+01  0.107390D+02 -0.287933D+01
      2  -0.480440D+01  0.127892D+02 -0.108263D+02 -0.907844D+01 -0.201459D+01
      3   0.345014D+01 -0.234735D+02  0.159494D+01 -0.166059D+01  0.489392D+01
      4  -0.136232D+01 -0.413212D+00  0.173929D+01 -0.998965D+01 -0.859694D+01
      5  -0.169977D+01  0.239791D+01 -0.636756D+01 -0.916815D+01 -0.912635D+01
      6   0.137845D+01  0.497982D+01 -0.698409D+01 -0.212279D+01 -0.336519D+01
                31            32            33            34            35 
      1  -0.265100D+01  0.502348D+01  0.824753D+00 -0.805234D+01 -0.653448D+01
      2  -0.329826D+01 -0.137865D+02  0.635962D+01  0.237652D+01 -0.156247D+01
      3   0.594926D+01  0.876297D+01 -0.718438D+01  0.567582D+01  0.809694D+01
      4  -0.191659D+02 -0.209229D+02 -0.511238D+01 -0.169298D+02 -0.210447D+01
      5  -0.174818D+02 -0.763886D+01 -0.103654D+02 -0.413853D+01 -0.314302D+01
      6  -0.250984D+01 -0.935410D+01 -0.636210D+01  0.390206D+00 -0.314190D+00
                36            37            38            39            40 
      1  -0.209970D+01 -0.191626D+02 -0.148235D+02  0.660289D+01 -0.231758D+02
      2  -0.240087D+00  0.123606D+02  0.705756D+01 -0.869344D+00  0.126687D+02
      3   0.233978D+01  0.680198D+01  0.776598D+01 -0.573354D+01  0.105072D+02
      4  -0.217036D+01 -0.198037D+02  0.749534D+01  0.628908D+01  0.106005D+02
      5   0.362355D+01  0.842099D+01  0.632443D+01  0.339049D+01  0.122907D+02
      6  -0.738799D+01  0.553849D+01 -0.267274D+00 -0.372555D+01 -0.135556D+01
                41            42            43            44            45 
      1  -0.227571D+01  0.424014D+01  0.702181D+01  0.241514D+01 -0.474394D+01
      2   0.670612D+01 -0.481114D+01 -0.321346D+01 -0.141571D+01 -0.671819D+01
      3  -0.443041D+01  0.570996D+00 -0.380836D+01 -0.999430D+00  0.114621D+02
      4  -0.145835D+02 -0.487467D+01  0.879354D+01 -0.485539D+01 -0.753320D+01
      5  -0.292286D+01 -0.829883D+01  0.769315D+01 -0.683255D+01 -0.146379D+02
      6   0.403377D+01  0.619684D+01 -0.384650D+01  0.551022D+01  0.361766D+01
                46            47            48            49            50 
      1   0.121862D+02  0.820081D+01 -0.115366D+02  0.710013D+01 -0.318999D+01
      2  -0.151523D+01 -0.211264D+00  0.416388D+01 -0.143959D+00  0.970054D+01
      3  -0.106709D+02 -0.798954D+01  0.737274D+01 -0.695617D+01 -0.651055D+01
      4   0.686811D+01 -0.147994D+02  0.861499D+01 -0.162370D+02 -0.660708D+00
      5  -0.544833D+01  0.107185D+02 -0.122499D+02  0.940060D+01 -0.191407D+02
      6   0.166077D+02 -0.106359D+02 -0.124920D+01 -0.121856D+02 -0.325100D+01
                51            52            53            54            55 
      1   0.148538D+01 -0.935890D+01  0.287859D-01 -0.768148D+01  0.116203D+02
      2   0.419973D+01  0.254692D+01  0.361613D+01 -0.567067D+01 -0.109673D+02
      3  -0.568511D+01  0.681198D+01 -0.364491D+01  0.133521D+02 -0.652961D+00
      4  -0.124900D+02  0.655219D+01 -0.877694D+01 -0.146541D+01  0.682661D+01
      5  -0.656909D+00 -0.119252D+02 -0.227651D+01  0.990571D+01 -0.254712D+01
      6  -0.144863D+02 -0.483132D+00 -0.103060D+02 -0.225153D+01  0.414508D+01
                56            57            58            59            60 
      1  -0.112329D+02  0.806668D+00 -0.732051D+01 -0.100521D+02 -0.398745D+01
      2   0.188075D+02 -0.337564D+01  0.143894D+02  0.170201D+02  0.613451D+01
      3  -0.757469D+01  0.256898D+01 -0.706884D+01 -0.696798D+01 -0.214707D+01
      4  -0.445332D+01  0.327196D+01  0.257184D+01  0.135673D+02 -0.383192D+01
      5   0.252161D+01  0.223133D+01  0.284370D+00 -0.307666D+01  0.164491D+01
      6  -0.636862D+01  0.951606D+01 -0.586195D+01  0.579562D+01  0.121671D+01
                61            62            63            64            65 
      1   0.374597D+01 -0.787774D+00  0.276165D+01  0.161222D+02  0.650780D+01
      2  -0.436546D+01  0.553678D+01 -0.550341D+01 -0.587436D+01  0.935795D+00
      3   0.619498D+00 -0.474901D+01  0.274176D+01 -0.102479D+02 -0.744360D+01
      4   0.419487D+01 -0.321127D+01  0.811375D+01  0.176391D+02  0.195211D+02
      5   0.268018D+01  0.301367D+01 -0.101427D+01  0.134858D+02  0.893694D+01
      6   0.932737D+01 -0.321577D+01 -0.124228D+02  0.567373D+01  0.449764D+01
                66            67            68            69            70 
      1   0.368765D+01  0.999748D+01 -0.133479D+02 -0.535550D+01  0.750168D+01
      2  -0.352017D+01  0.361396D+00  0.302868D+02  0.181628D+01 -0.402373D+01
      3  -0.167480D+00 -0.103589D+02 -0.169389D+02  0.353922D+01 -0.347795D+01
      4   0.801738D+01  0.279982D+02  0.402308D+02  0.110044D+02  0.982356D+01
      5   0.147180D+02  0.117269D+02  0.140058D+02  0.149405D+02  0.153382D+02
      6   0.566287D+01  0.663069D+01  0.148002D+02  0.150725D+02  0.608389D+01
                71            72            73            74            75 
      1  -0.190096D+01 -0.539254D+01  0.158767D+01 -0.136113D+00 -0.476522D+00
      2   0.147641D+01 -0.303646D+01 -0.506190D+01  0.302625D+00  0.496229D+00
      3   0.424548D+00  0.842900D+01  0.347423D+01 -0.166512D+00 -0.197064D-01
      4   0.870891D+01  0.120298D+02 -0.711912D+00  0.124669D+01 -0.121512D+01
      5   0.130319D+02  0.169940D+02 -0.146690D+01 -0.500095D+00  0.620281D+01
      6   0.135935D+02  0.113681D+02 -0.141522D+01  0.120300D+00  0.418100D+00
                76            77            78            79            80 
      1   0.104344D+01 -0.406631D+01  0.130169D+00  0.145877D+01  0.297408D+01
      2   0.418207D+00  0.652741D+00 -0.131091D+01  0.783653D+00 -0.128324D+01
      3  -0.146165D+01  0.341357D+01  0.118074D+01 -0.224243D+01 -0.169084D+01
      4   0.272284D+01 -0.226266D+00 -0.143400D+00 -0.140791D+00  0.641531D+00
      5   0.528619D-01 -0.470698D+00 -0.225831D+00  0.545195D+01  0.660456D+00
      6   0.184082D+00 -0.105976D+01  0.697482D+01  0.366748D+00  0.518097D+01
                81            82            83            84            85 
      1  -0.203099D+02 -0.667356D+00 -0.267051D+01 -0.229779D+01 -0.426561D+01
      2  -0.167340D+02  0.376014D+01  0.322097D+01  0.196458D+01  0.412201D+01
      3   0.370439D+02 -0.309278D+01 -0.550462D+00  0.333211D+00  0.143599D+00
      4  -0.154987D+00  0.131778D+00  0.345410D+01  0.985400D+00  0.224893D+01
      5  -0.527887D+00 -0.173913D+01  0.682539D+00  0.106827D+01  0.991370D+00
      6  -0.726773D+01  0.197803D+01  0.106110D+01  0.623490D+00  0.708120D+00
                86            87            88            89            90 
      1  -0.181167D+02 -0.290567D+01 -0.359380D+01 -0.424097D+01 -0.520918D+01
      2   0.289400D+02  0.611654D+01  0.217598D+01  0.461370D+01  0.339040D+01
      3  -0.108233D+02 -0.321087D+01  0.141782D+01 -0.372730D+00  0.181878D+01
      4  -0.114376D+02 -0.305073D+01  0.372872D+00 -0.311987D+01 -0.227624D+01
      5  -0.315909D+01 -0.411213D+01  0.218896D+01 -0.266779D+01 -0.670885D+00
      6   0.901858D+01  0.660624D+01  0.109046D+01  0.833122D+01  0.482919D+01
                91            92            93            94            95 
      1   0.506010D+02  0.561464D+01 -0.131255D+02  0.194807D+02  0.658048D+01
      2  -0.287609D+02 -0.360329D+01  0.883583D+01 -0.107893D+02 -0.308788D+01
      3  -0.218402D+02 -0.201135D+01  0.428969D+01 -0.869140D+01 -0.349260D+01
      4   0.532137D+01  0.665872D+01 -0.127055D+01  0.104804D+02  0.437529D+01
      5  -0.196591D+02 -0.163355D+01  0.114424D+02 -0.900924D+01 -0.398481D+01
      6  -0.311383D+01 -0.106091D+01  0.124938D+01 -0.381415D+01 -0.196940D+01
                96            97            98            99           100 
      1  -0.586391D+01 -0.563567D+01 -0.375755D+00  0.598496D+01 -0.281468D+01
      2   0.376401D+01  0.504925D+01  0.548028D+00 -0.541107D+01  0.868718D+01
      3   0.209990D+01  0.586423D+00 -0.172273D+00 -0.573886D+00 -0.587251D+01
      4  -0.374041D+01 -0.871093D+00 -0.199688D+01  0.789605D+00 -0.929645D+01
      5   0.517244D+01  0.109793D+02  0.122696D+01 -0.759498D+01  0.323722D+01
      6   0.235801D+01  0.863108D+00  0.131557D+01 -0.978136D+00 -0.631062D+01
               101           102           103           104           105 
      1   0.803592D+01 -0.250248D+01  0.673198D+01 -0.143985D+02  0.437986D+01
      2  -0.157990D+02  0.414382D+01 -0.125439D+02  0.260034D+02 -0.736330D+01
      3   0.776306D+01 -0.164134D+01  0.581191D+01 -0.116049D+02  0.298344D+01
      4   0.138983D+02 -0.534514D+01  0.116499D+02 -0.130272D+02  0.447488D+01
      5  -0.324291D+01  0.331942D+01 -0.175074D+01  0.298313D+01 -0.161677D+01
      6   0.794880D+01 -0.615635D+01  0.618031D+01 -0.109084D+02  0.767876D+01
               106           107           108           109           110 
      1  -0.401955D+01  0.680042D+01 -0.568986D+01 -0.142208D+01  0.159162D+01
      2   0.521309D+01 -0.932967D+01  0.546438D+01  0.174483D+01 -0.185432D+01
      3  -0.119355D+01  0.252925D+01  0.225479D+00 -0.322759D+00  0.262700D+00
      4  -0.616283D+01  0.610713D+01 -0.533481D+01  0.285148D+00  0.332525D+01
      5   0.331611D+01 -0.281061D+01  0.269334D+01 -0.945251D+00 -0.851849D-01
      6  -0.671968D+01  0.111236D+02 -0.789139D+01  0.930907D+00 -0.178237D+01
               111           112           113           114           115 
      1   0.150464D+01  0.104074D+01 -0.364664D+01 -0.281848D+01  0.117774D+01
      2  -0.949297D+00 -0.103621D+01  0.482258D+01  0.343055D+01 -0.150042D+01
      3  -0.555347D+00 -0.453333D-02 -0.117594D+01 -0.612068D+00  0.322680D+00
      4   0.104373D+01  0.291950D+01 -0.113255D+01 -0.101697D+01  0.325575D+01
      5   0.180448D+01  0.241032D-01 -0.199140D+00 -0.367519D+00  0.143451D+01
      6  -0.345654D+01 -0.126577D+01  0.351067D+01  0.647035D+01 -0.325916D+01
               116           117           118           119           120 
      1  -0.619297D+01 -0.819776D+01  0.219156D+01  0.192516D+01  0.194367D+01
      2   0.772276D+01  0.195180D+01 -0.340535D+01 -0.259465D+01 -0.372140D+01
      3  -0.152979D+01  0.624596D+01  0.121379D+01  0.669486D+00  0.177772D+01
      4  -0.194916D+01 -0.305649D+01  0.333453D+01  0.659567D+01  0.155253D+01
      5  -0.997866D+00 -0.105346D+01  0.628682D+01  0.396905D+01  0.831142D+01
      6   0.832027D+01  0.206796D+02  0.193886D+01  0.517537D+01  0.217011D+01
               121           122           123           124           125 
      1   0.330630D+01 -0.312151D+01 -0.516863D+01  0.857697D+00 -0.311362D+01
      2  -0.420561D+01 -0.136800D+01 -0.696751D+01 -0.265772D+01 -0.411354D+01
      3   0.899311D+00  0.448951D+01  0.121361D+02  0.180002D+01  0.722716D+01
      4   0.630237D+01  0.124572D+02  0.730674D+01  0.820521D+00  0.490584D+01
      5   0.698169D+01  0.106624D+02  0.110076D+02  0.629221D+01  0.592959D+01
      6   0.560851D+01  0.173093D+02  0.108461D+02  0.227314D+01  0.100166D+02
               126           127           128           129           130 
      1  -0.452993D+01 -0.950401D+01 -0.587023D+01  0.130757D+02 -0.486194D+01
      2  -0.544225D+01  0.830606D+00  0.252962D+01  0.191367D+01  0.261272D+01
      3   0.997218D+01  0.867341D+01  0.334061D+01 -0.149893D+02  0.224922D+01
      4   0.449386D+01  0.594503D+01  0.353654D+01 -0.326396D+01  0.451434D+01
      5   0.760278D+01 -0.131367D+02 -0.380157D+01  0.570846D+01 -0.406403D+01
      6   0.717901D+01 -0.744626D+01 -0.588229D+01  0.750598D+01 -0.366045D+01
               131           132           133           134           135 
      1  -0.495361D+01  0.451900D+01  0.893619D+01  0.391913D+01 -0.108424D+02
      2   0.238108D+01 -0.138742D+01  0.133687D+01 -0.802369D+00 -0.334506D+01
      3   0.257253D+01 -0.313158D+01 -0.102731D+02 -0.311676D+01  0.141874D+02
      4   0.142940D+01  0.545661D+00 -0.238290D+01  0.342599D-01  0.227478D+01
      5   0.979622D-01  0.886213D+00  0.773152D+01  0.155203D+01 -0.478056D+01
      6  -0.479097D+01  0.739264D+01  0.479479D+01  0.613507D+01 -0.606038D+01
               136           137           138           139           140 
      1   0.119391D+02 -0.470778D+01  0.228819D+01 -0.508330D+01 -0.210958D+01
      2  -0.701966D+01  0.203922D+00 -0.541507D+01 -0.174406D+00  0.618251D+01
      3  -0.491944D+01  0.450386D+01  0.312688D+01  0.525770D+01 -0.407293D+01
      4  -0.166947D+02  0.150495D+02 -0.885227D+01  0.158248D+02 -0.171180D+02
      5   0.192639D+02 -0.122538D+02  0.161194D+02 -0.129343D+02  0.134890D+02
      6  -0.116855D+02  0.114517D+02 -0.864735D+01  0.111251D+02 -0.155587D+02
               141           142           143           144           145 
      1   0.312889D+01  0.132584D+01  0.207063D+01 -0.158997D+01  0.102811D+02
      2   0.330466D+00 -0.392555D+01  0.110702D+01 -0.388874D+01 -0.205885D+01
      3  -0.345935D+01  0.259971D+01 -0.317766D+01  0.547871D+01 -0.822229D+01
      4   0.980304D+01 -0.538361D+01  0.618597D+01 -0.713161D+01  0.762343D+01
      5  -0.107811D+02  0.119762D+02 -0.776047D+01  0.107304D+02  0.191223D+01
      6   0.133223D+02 -0.648459D+01  0.986292D+01 -0.893477D+01 -0.594385D+00
               146           147           148           149           150 
      1   0.704622D+01  0.292988D+01  0.153798D+02  0.886099D+01  0.485655D-01
      2  -0.180420D+01 -0.928691D+00 -0.519270D+01  0.551549D+01  0.183950D+01
      3  -0.524203D+01 -0.200119D+01 -0.101871D+02 -0.143765D+02 -0.188806D+01
      4   0.132691D+02  0.113414D+01  0.180889D+02  0.329393D+02  0.338265D+01
      5   0.256480D+00  0.208535D+01 -0.198921D+01  0.323575D+01  0.805381D+01
      6  -0.156447D+01  0.299931D+00 -0.162413D+01 -0.459040D+01  0.212516D+01
               151           152           153           154           155 
      1   0.772806D+01  0.147987D+01 -0.366927D-01  0.502083D+02 -0.181074D+02
      2  -0.292969D+01  0.619090D+00 -0.130248D+01 -0.208704D+02  0.579161D+01
      3  -0.479837D+01 -0.209896D+01  0.133917D+01 -0.293380D+02  0.123157D+02
      4   0.231512D+01  0.641885D+01  0.455125D+01 -0.249379D+02  0.185145D+02
      5   0.376525D+01  0.509714D+01 -0.308368D+00  0.222830D+01 -0.883758D+00
      6   0.127748D+01  0.246195D+01  0.102988D+01  0.171511D+01 -0.179247D+01
               156           157           158           159           160 
      1   0.671962D+01 -0.268156D+02  0.140994D+02 -0.206254D+01  0.161898D+02
      2  -0.212866D+01  0.899640D+01 -0.120180D+00 -0.561577D+00 -0.652637D+01
      3  -0.459096D+01  0.178192D+02 -0.139792D+02  0.262412D+01 -0.966338D+01
      4  -0.302945D+01  0.246200D+02 -0.191565D+02  0.421597D+01 -0.727108D+01
      5   0.795314D+01  0.355222D+00  0.243210D+01 -0.722536D+01  0.843127D+01
      6  -0.125370D+01 -0.181153D+01  0.922149D+00  0.235855D+01 -0.170233D+01
               161           162           163           164           165 
      1  -0.406513D+01  0.475954D+01  0.153971D+01 -0.179167D+01 -0.500139D+01
      2   0.717468D+00 -0.379243D+01 -0.332697D+01  0.827398D+00  0.314520D+01
      3   0.334766D+01 -0.967107D+00  0.178725D+01  0.964274D+00  0.185620D+01
      4   0.687878D+01 -0.544235D+01 -0.164617D+01  0.270502D+01  0.166755D+00
      5  -0.486620D+01  0.233698D+01 -0.424440D+01  0.169519D+00  0.743494D+01
      6   0.173409D+01 -0.989663D+00  0.676767D+00 -0.126076D+00  0.296484D+00
               166           167           168           169           170 
      1  -0.273890D+01  0.498987D+00 -0.103797D+01 -0.792908D+01 -0.685797D+00
      2   0.119089D+01 -0.125625D+01  0.330497D+00  0.890609D+01  0.181958D+00
      3   0.154801D+01  0.757264D+00  0.707477D+00 -0.977006D+00  0.503839D+00
      4   0.528847D+01  0.676480D+00 -0.453477D+01  0.596816D+00 -0.547701D+01
      5   0.655720D+00 -0.414141D+01 -0.149767D+01  0.167970D+02 -0.863508D+00
      6  -0.154744D+01  0.997597D+00  0.680265D+01 -0.159150D+01  0.621534D+01
               171 
      1  -0.117088D+02
      2  -0.212231D+02
      3   0.329318D+02
      4  -0.190476D+01
      5  -0.477404D+02
      6   0.563804D+01
 Leave Link  716 at Thu Aug 12 20:40:37 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.885177D+02  0.740756D+00 -0.253282D+01
      2   0.740756D+00  0.765263D+02  0.192979D+01
      3  -0.253282D+01  0.192979D+01  0.742640D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.762727D+00 -0.135503D+01  0.163007D+01
      2   0.681351D+01 -0.749330D+01  0.328634D+02
      3   0.525307D+01 -0.252764D+02  0.853235D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.672023D+02 -0.189782D+02  0.528171D+01
      2  -0.378190D+02  0.207052D+02 -0.111265D+02
      3  -0.293832D+02 -0.172707D+01  0.584484D+01
      4  -0.232561D+02  0.380137D+02 -0.188206D+02
      5   0.114622D+02 -0.218849D+02  0.622006D+02
      6  -0.509091D+01  0.921307D+00 -0.967287D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.305750D+00  0.295230D+01 -0.332761D+01  0.496757D+01 -0.364701D+01
      2   0.295230D+01 -0.286768D+01  0.108862D+00 -0.364701D+01 -0.320358D+01
      3  -0.332761D+01  0.108862D+00  0.680919D+00  0.171663D-01 -0.202072D+01
                 6             7             8             9            10 
      1   0.171663D-01 -0.470651D+01  0.463509D+00 -0.710143D+00  0.225683D+01
      2  -0.202072D+01  0.463509D+00 -0.206119D+01  0.166373D+00 -0.245011D+01
      3   0.584898D+00 -0.710143D+00  0.166373D+00  0.766619D+01  0.408091D+01
                11            12            13            14            15 
      1  -0.245011D+01  0.408091D+01 -0.690471D+01  0.288511D+01  0.147124D+00
      2   0.330586D+01  0.265736D+00  0.288511D+01  0.438349D+01  0.273907D+01
      3   0.265736D+00 -0.418247D+00  0.147124D+00  0.273907D+01  0.538961D+00
                16            17            18            19            20 
      1   0.609432D+01  0.137866D+00  0.170630D+00 -0.297856D+01  0.337915D+01
      2   0.137866D+00  0.277100D+01  0.123518D+01  0.337915D+01 -0.103052D+01
      3   0.170630D+00  0.123518D+01 -0.542422D+01 -0.254105D+01  0.802225D-01
                21            22            23            24            25 
      1  -0.254105D+01  0.722474D+01 -0.259218D+00 -0.109107D+00 -0.237401D+01
      2   0.802225D-01 -0.259218D+00 -0.103201D+01 -0.121888D+01  0.389699D+00
      3  -0.424805D+00 -0.109107D+00 -0.121888D+01  0.131887D+01 -0.846414D+00
                26            27            28            29            30 
      1   0.389699D+00 -0.846414D+00 -0.167780D+01 -0.161238D+01  0.155744D+01
      2  -0.101183D+01  0.436848D-01 -0.161238D+01  0.107527D+01  0.177473D+01
      3   0.436848D-01  0.646318D+01  0.155744D+01  0.177473D+01  0.561852D+00
                31            32            33            34            35 
      1   0.309304D+01  0.130832D+01  0.161827D+01  0.176226D+01  0.241381D+01
      2   0.130832D+01  0.301743D+01  0.177346D+01  0.241381D+01  0.224087D+01
      3   0.161827D+01  0.177346D+01  0.933266D+00  0.379029D+00 -0.334020D-01
                36            37            38            39            40 
      1   0.379029D+00  0.534983D+01  0.312590D+01 -0.120248D+01  0.482584D+01
      2  -0.334020D-01  0.312590D+01  0.379240D-01 -0.875338D+00 -0.906275D+00
      3  -0.957406D-01 -0.120248D+01 -0.875338D+00  0.740126D+00 -0.165027D+01
                41            42            43            44            45 
      1  -0.906275D+00 -0.165027D+01 -0.175656D+00 -0.134852D+01 -0.498810D+00
      2   0.310684D+01  0.787355D+00 -0.134852D+01  0.398237D+00  0.138657D+01
      3   0.787355D+00  0.152359D+01 -0.498810D+00  0.138657D+01  0.272200D+01
                46            47            48            49            50 
      1   0.137391D+01  0.351867D+01 -0.463087D+01  0.386607D+01 -0.325822D+01
      2   0.351867D+01 -0.309590D+01  0.141676D+00 -0.325822D+01 -0.180300D+01
      3  -0.463087D+01  0.141676D+00  0.449494D+00  0.116556D+00 -0.374890D+01
                51            52            53            54            55 
      1   0.116556D+00 -0.363471D+01 -0.114057D+00  0.303790D+00  0.304427D+01
      2  -0.374890D+01 -0.114057D+00 -0.291253D+01 -0.649698D+00 -0.153536D+01
      3   0.222776D+00  0.303790D+00 -0.649698D+00  0.354269D+01  0.113559D+01
                56            57            58            59            60 
      1  -0.153536D+01  0.113559D+01 -0.133943D+01  0.309879D+01 -0.665902D+00
      2   0.430353D+01 -0.814030D+00  0.309879D+01  0.191281D+01  0.114484D+01
      3  -0.814030D+00  0.207092D+01 -0.665902D+00  0.114484D+01 -0.121712D+01
                61            62            63            64            65 
      1   0.140809D+01 -0.109303D+01  0.220856D+01 -0.330747D+01 -0.301761D+01
      2  -0.109303D+01  0.117781D+01 -0.933920D+00 -0.301761D+01 -0.271270D+01
      3   0.220856D+01 -0.933920D+00 -0.355896D+01 -0.196567D+01 -0.133753D+01
                66            67            68            69            70 
      1  -0.196567D+01 -0.634448D+01 -0.316028D+01 -0.113304D+01 -0.307381D+01
      2  -0.133753D+01 -0.316028D+01 -0.939101D+01 -0.278038D+01 -0.144486D+01
      3  -0.131507D+01 -0.113304D+01 -0.278038D+01 -0.280997D+01 -0.180842D+01
                71            72            73            74            75 
      1  -0.144486D+01 -0.180842D+01  0.585564D+00 -0.396103D+00 -0.882661D+00
      2  -0.273110D+01 -0.281061D+01 -0.396103D+00  0.230392D+00 -0.102432D+00
      3  -0.281061D+01 -0.381602D+01 -0.882661D+00 -0.102432D+00  0.266109D+00
                76            77            78            79            80 
      1  -0.119951D+01  0.149733D+00  0.213520D-01 -0.149007D+01 -0.128825D+00
      2   0.149733D+00  0.544080D+00 -0.108227D+01 -0.128825D+00 -0.144391D+01
      3   0.213520D-01 -0.108227D+01 -0.429725D-01  0.232169D+00  0.536227D+00
                81            82            83            84            85 
      1   0.232169D+00 -0.128131D+01 -0.790078D+00 -0.988788D+00 -0.110115D+01
      2   0.536227D+00 -0.790078D+00 -0.105894D+01 -0.389576D-01 -0.901320D+00
      3  -0.865813D+01 -0.988788D+00 -0.389576D-01 -0.274551D+00 -0.739381D-01
                86            87            88            89            90 
      1  -0.901320D+00 -0.739381D-01 -0.145000D+01 -0.112175D+00 -0.122932D+00
      2  -0.703255D+01 -0.171310D+01 -0.112175D+00 -0.173080D+01 -0.156519D+01
      3  -0.171310D+01 -0.183790D+01 -0.122932D+00 -0.156519D+01 -0.643853D+00
                91            92            93            94            95 
      1  -0.937264D+01 -0.950722D+00  0.282647D+01 -0.407127D+01 -0.155606D+01
      2  -0.950722D+00 -0.140494D+01  0.119108D+00 -0.155606D+01 -0.649213D+00
      3   0.282647D+01  0.119108D+00 -0.191811D+01  0.141153D+01  0.584057D+00
                96            97            98            99           100 
      1   0.141153D+01  0.187178D+01  0.260933D+00 -0.151585D+01 -0.180092D+01
      2   0.584057D+00  0.260933D+00  0.518011D+00 -0.688523D-01  0.253141D+01
      3  -0.882759D+00 -0.151585D+01 -0.688523D-01  0.139086D+01 -0.110241D+01
               101           102           103           104           105 
      1   0.253141D+01 -0.110241D+01  0.219916D+01 -0.279424D+01  0.920916D+00
      2  -0.336442D+01  0.114545D+01 -0.279424D+01  0.534222D+01 -0.158116D+01
      3   0.114545D+01 -0.104157D+01  0.920916D+00 -0.158116D+01  0.130437D+01
               106           107           108           109           110 
      1  -0.174481D+01  0.149675D+01 -0.123105D+01 -0.137660D+00  0.544242D+00
      2   0.149675D+01 -0.267853D+01  0.174265D+01  0.544242D+00 -0.258037D+00
      3  -0.123105D+01  0.174265D+01 -0.152607D+01  0.292529D+00 -0.317909D+00
               111           112           113           114           115 
      1   0.292529D+00  0.357643D+00 -0.174481D+00 -0.325052D+00  0.961379D+00
      2  -0.317909D+00 -0.174481D+00  0.111116D+01  0.970878D+00 -0.545584D+00
      3  -0.704568D+00 -0.325052D+00  0.970878D+00  0.852925D+00 -0.664538D+00
               116           117           118           119           120 
      1  -0.545584D+00 -0.664538D+00  0.955162D+00  0.650280D+00  0.120691D+01
      2   0.218207D+01  0.151255D+01  0.650280D+00  0.132283D+01  0.519428D+00
      3   0.151255D+01  0.535270D+01  0.120691D+01  0.519428D+00  0.997823D+00
               121           122           123           124           125 
      1   0.126940D+01  0.119288D+01  0.868690D+00  0.942101D+00  0.415424D+00
      2   0.119288D+01  0.465502D+01  0.220221D+01  0.415424D+00  0.176114D+01
      3   0.868690D+00  0.220221D+01  0.308532D+01  0.608669D+00  0.157362D+01
               126           127           128           129           130 
      1   0.608669D+00 -0.533778D+01 -0.137445D+01  0.244272D+01 -0.143379D+01
      2   0.157362D+01 -0.137445D+01 -0.108164D+01  0.952970D+00 -0.640018D+00
      3   0.206703D+01  0.244272D+01  0.952970D+00 -0.331122D+01  0.602010D+00
               131           132           133           134           135 
      1  -0.640018D+00  0.602010D+00  0.189919D+01  0.515953D+00 -0.188274D+01
      2  -0.948785D+00  0.129218D+01  0.515953D+00  0.937472D+00 -0.735964D+00
      3   0.129218D+01 -0.107457D+01 -0.188274D+01 -0.735964D+00  0.245405D+01
               136           137           138           139           140 
      1   0.398188D+01 -0.265246D+01  0.248600D+01 -0.289704D+01  0.263505D+01
      2  -0.265246D+01  0.257592D+01 -0.139317D+01  0.263505D+01 -0.349944D+01
      3   0.248600D+01 -0.139317D+01  0.230328D+01 -0.140644D+01  0.232685D+01
               141           142           143           144           145 
      1  -0.140644D+01  0.141017D+01 -0.918485D+00  0.151759D+01  0.151764D+01
      2   0.232685D+01 -0.918485D+00  0.151353D+01 -0.139768D+01  0.126764D+01
      3  -0.224538D+01  0.151759D+01 -0.139768D+01  0.176710D+01  0.466469D+00
               146           147           148           149           150 
      1   0.126764D+01  0.466469D+00  0.294573D+01  0.232519D+01 -0.162208D+00
      2   0.160425D+01  0.785275D-01  0.232519D+01  0.579135D+01  0.605037D+00
      3   0.785275D-01  0.254057D+00 -0.162208D+00  0.605037D+00  0.129456D+01
               151           152           153           154           155 
      1   0.128916D+01  0.326694D+00  0.551336D+00  0.688689D+01 -0.292814D+01
      2   0.326694D+00  0.116458D+01  0.844258D+00 -0.292814D+01  0.219370D+01
      3   0.551336D+00  0.844258D+00 -0.149488D+00  0.963282D+00 -0.359272D+00
               156           157           158           159           160 
      1   0.963282D+00 -0.490323D+01  0.301121D+01 -0.249825D+00  0.299463D+01
      2  -0.359272D+00  0.301121D+01 -0.245752D+01  0.649524D+00 -0.744964D+00
      3   0.975985D+00 -0.249825D+00  0.649524D+00 -0.113422D+01  0.118143D+01
               161           162           163           164           165 
      1  -0.744964D+00  0.118143D+01  0.247910D+00 -0.262168D+00 -0.816803D+00
      2   0.964510D+00 -0.758631D+00 -0.262168D+00  0.225119D+00  0.519190D-01
      3  -0.758631D+00  0.189768D+00 -0.816803D+00  0.519190D-01  0.107586D+00
               166           167           168           169           170 
      1  -0.554585D+00  0.690843D+00  0.521831D-01 -0.198349D+01  0.298752D-01
      2   0.690843D+00  0.152707D+00 -0.930043D+00  0.298752D-01 -0.105936D+01
      3   0.521831D-01 -0.930043D+00 -0.414644D+00  0.212769D+01 -0.871586D-01
               171 
      1   0.212769D+01
      2  -0.871586D-01
      3  -0.974308D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.266212D+01  0.232774D+01  0.739816D-01  0.343829D+01  0.222823D+01
      2  -0.943632D+01  0.298045D+01  0.443513D+00  0.431304D+01 -0.864427D+01
      3  -0.774942D+01  0.566954D+01  0.547788D+00  0.138176D+02  0.109151D+02
                 6             7             8             9            10 
      1  -0.525452D+00  0.737946D+00  0.320432D+01 -0.357966D+00  0.356892D+01
      2   0.127795D+01 -0.975103D+01  0.701778D+00  0.222380D+02  0.858485D+01
      3   0.478863D+01 -0.148973D+01  0.601957D+01 -0.103272D+01  0.302952D+01
                11            12            13            14            15 
      1  -0.597877D+00  0.228578D+00 -0.774307D+00  0.336633D+01 -0.423911D+01
      2  -0.732889D+00  0.442548D+01 -0.505206D+01  0.370225D+01  0.232263D+00
      3  -0.422025D+01 -0.132925D+01  0.122976D+01 -0.980102D+01 -0.441037D+01
                16            17            18            19            20 
      1  -0.358609D+00  0.247681D+01 -0.264105D+01 -0.472732D+01  0.215099D+00
      2  -0.190882D+01  0.141145D+01 -0.568772D+01 -0.640581D-01  0.458629D+00
      3  -0.566303D+00 -0.365353D+01 -0.284337D+00 -0.135629D+01 -0.512205D+01
                21            22            23            24            25 
      1  -0.919752D+00 -0.123485D+01  0.133445D+01  0.248629D+01 -0.409363D+00
      2  -0.917557D-02  0.850053D+01 -0.192908D+00  0.955103D+00 -0.717415D+01
      3   0.178513D+01  0.497979D+00  0.407834D+00  0.335088D+01 -0.876705D+00
                26            27            28            29            30 
      1   0.520259D+01 -0.206454D+01  0.143719D+01 -0.809583D-01  0.209670D+01
      2  -0.292288D+00 -0.255260D+01 -0.104286D+02 -0.143902D+01 -0.257511D+01
      3   0.178724D+01 -0.520105D-01 -0.481801D+01  0.279518D+01 -0.175227D+01
                31            32            33            34            35 
      1   0.252168D+01 -0.659331D+01  0.119053D+01 -0.302974D+01  0.144770D+01
      2   0.101431D+02 -0.112691D+01 -0.516617D+01 -0.114374D+02 -0.317069D+01
      3   0.509620D+01  0.105266D+02 -0.186291D-01 -0.638336D+01 -0.311889D+01
                36            37            38            39            40 
      1   0.874123D+01  0.587315D+00  0.278022D+00  0.183849D+01  0.214293D+01
      2   0.382797D+01  0.260994D+01  0.224997D+00  0.150591D+01 -0.778022D+00
      3   0.192382D+01  0.536936D+01 -0.139266D+01 -0.572924D+00  0.482441D+01
                41            42            43            44            45 
      1   0.260443D+01 -0.273910D+01  0.146976D+01  0.340555D+01 -0.196845D+01
      2  -0.368373D+01 -0.311071D+01 -0.166054D+01 -0.310275D+01 -0.695859D+01
      3   0.900270D+01  0.132260D+01  0.281819D+01  0.235046D+01  0.178376D+01
                46            47            48            49            50 
      1   0.358034D+01 -0.598519D+01  0.758625D+00 -0.614325D+01 -0.606599D+01
      2  -0.109268D+02 -0.688909D+01  0.130994D+02 -0.531105D+01  0.653052D+00
      3  -0.635636D+01 -0.193642D+00  0.279399D+01  0.387846D+01  0.512560D+01
                51            52            53            54            55 
      1  -0.111779D+02  0.370803D-01 -0.460594D+01  0.257061D+01 -0.154588D+01
      2  -0.146715D+00  0.589573D+01 -0.607941D+00  0.301613D+01  0.109957D+01
      3   0.479161D+01  0.258637D+01  0.367043D+01  0.524592D+00  0.773514D+01
                56            57            58            59            60 
      1   0.150020D+01 -0.622453D+01  0.130921D+01 -0.467760D+01 -0.344367D+01
      2   0.175397D+01  0.463286D+01 -0.201820D+01  0.705346D-01  0.273985D+00
      3  -0.107708D+02  0.134956D+01  0.367646D+01  0.763756D+01 -0.356928D+01
                61            62            63            64            65 
      1  -0.398985D+01  0.755125D+01  0.918121D+01  0.163625D+01  0.295408D+01
      2  -0.962666D+00  0.346417D+00 -0.662405D+00  0.765425D+00  0.873731D+00
      3   0.341630D+01 -0.232746D+01  0.563106D+01  0.140053D+01 -0.571726D+01
                66            67            68            69            70 
      1  -0.352656D+01  0.443634D-01  0.520152D+01 -0.760324D+01  0.114109D+01
      2   0.587646D+01 -0.945460D+01  0.287083D+01  0.603394D+01 -0.344246D+00
      3  -0.948901D+00  0.427472D+01 -0.159645D+02 -0.328173D+01  0.869182D+00
                71            72            73            74            75 
      1   0.420146D+01 -0.340719D+01  0.782692D+00 -0.318676D+00 -0.333390D-01
      2   0.592216D+01  0.434376D+01  0.103834D+01 -0.257791D+00  0.146716D+00
      3  -0.187781D+01 -0.457425D+01  0.110695D+01 -0.385503D+00 -0.788145D+00
                76            77            78            79            80 
      1  -0.478307D-02 -0.791199D+00 -0.233340D+00  0.110977D+00  0.341533D+01
      2  -0.944759D+00  0.487975D+00  0.873547D-01 -0.369982D+01  0.696101D-02
      3   0.124609D+01  0.188814D-01 -0.596073D+00 -0.432970D+00 -0.552644D+00
                81            82            83            84            85 
      1   0.175026D+01 -0.145617D+01  0.134698D+00 -0.585109D+00 -0.195841D+00
      2   0.917608D+00 -0.219117D+01 -0.358856D+00 -0.234747D-01 -0.883473D+00
      3  -0.687402D-02  0.337768D+01  0.128746D+01  0.100733D+01  0.551247D+01
                86            87            88            89            90 
      1   0.233556D-01 -0.360156D+01 -0.229383D+00  0.254962D+00 -0.521989D+00
      2  -0.188426D+01 -0.179640D+01 -0.231975D+01 -0.171294D+01 -0.678371D+00
      3   0.863922D+01  0.236876D+01  0.222404D+01  0.221963D+01  0.203677D+01
                91            92            93            94            95 
      1  -0.142647D+01 -0.159410D+01  0.118632D+00 -0.516709D+00 -0.111017D+01
      2  -0.183857D+01  0.556337D+00  0.489083D+01 -0.169862D+01 -0.564405D+00
      3  -0.383121D+01 -0.526780D+01  0.954412D+00 -0.264790D+01 -0.331750D+01
                96            97            98            99           100 
      1  -0.427352D+00  0.780674D+00  0.611244D+00 -0.379029D+00  0.157160D+01
      2   0.263994D+01  0.120200D+01  0.304944D+00 -0.220335D+01 -0.114854D+01
      3   0.877346D+00  0.176779D+01  0.174540D+01 -0.705215D+00 -0.565990D+01
               101           102           103           104           105 
      1  -0.178672D+01  0.331964D+01 -0.152655D+01  0.161820D+01 -0.343587D+01
      2   0.566172D+00  0.490351D+00  0.742479D+00 -0.650574D+00 -0.425008D+00
      3   0.468656D+01 -0.274392D+01  0.778091D+01 -0.640067D+01  0.297111D+01
               106           107           108           109           110 
      1   0.211858D+01 -0.171537D+01  0.252546D+01 -0.835694D+00  0.782499D+00
      2  -0.154000D+01  0.268412D+00 -0.324402D-01  0.670796D+00  0.134834D+00
      3  -0.474868D+01  0.378281D+01 -0.328619D+01 -0.597575D+00  0.122321D+00
               111           112           113           114           115 
      1   0.205967D+01  0.100970D+01 -0.245947D+01 -0.228541D+01  0.149067D+01
      2  -0.386239D+00  0.108325D+00 -0.116701D+00  0.441553D+00 -0.266193D+01
      3   0.860934D+00  0.937095D+00 -0.680964D+00 -0.987203D+00  0.290001D+01
               116           117           118           119           120 
      1  -0.182113D+01 -0.146075D+02  0.178124D+01  0.294823D+01  0.106011D+01
      2   0.543093D+00  0.972087D+00  0.296050D+00 -0.430617D+00  0.556135D+00
      3  -0.132119D+01 -0.233607D+01 -0.527114D+00 -0.277990D+01 -0.110997D+01
               121           122           123           124           125 
      1   0.220755D+01  0.126351D+02  0.344986D+01  0.134551D+01  0.575079D+01
      2  -0.236100D+01  0.106635D+01  0.328547D+01 -0.210651D+01  0.113931D+01
      3   0.749818D-01 -0.777096D+01 -0.275927D+01 -0.544341D+00 -0.237508D+01
               126           127           128           129           130 
      1   0.361762D+01 -0.572117D+00 -0.229634D+01 -0.141337D+01 -0.949695D+00
      2   0.161586D+01  0.162558D+02  0.352727D+01 -0.578948D+01  0.360868D+01
      3  -0.230660D+01  0.646466D+01  0.359981D+00 -0.242000D+01  0.297517D+01
               131           132           133           134           135 
      1  -0.531710D+00  0.483031D+00 -0.478108D+00  0.243301D+01  0.468402D+00
      2   0.251281D+01 -0.182788D+01 -0.783667D+01 -0.183903D+01  0.513474D+01
      3   0.984758D+00 -0.173663D+01 -0.219042D+01 -0.550223D+00  0.209917D+01
               136           137           138           139           140 
      1  -0.288034D+01  0.458412D+01  0.358319D+00  0.356706D+01 -0.467643D+01
      2  -0.392972D+01  0.261964D+01  0.133324D+01  0.406263D+01 -0.130626D+01
      3   0.202527D-01 -0.312489D+01  0.416785D+00  0.352416D+00  0.338401D+01
               141           142           143           144           145 
      1   0.350395D+00 -0.824927D+00  0.284471D+01 -0.814473D+00 -0.107296D+01
      2  -0.154252D+01 -0.265966D+01  0.653681D-01  0.212914D+00  0.247442D+01
      3  -0.210129D+01 -0.533194D+00 -0.180189D+01  0.748293D+00 -0.420601D+01
               146           147           148           149           150 
      1  -0.145957D+01 -0.625074D+00 -0.139929D+01 -0.437483D+01 -0.277352D+01
      2   0.116360D+01  0.176981D+01  0.120314D+01  0.415530D+01  0.453960D+01
      3  -0.509144D+01 -0.111007D+00 -0.279388D+01 -0.186543D+02 -0.234950D+01
               151           152           153           154           155 
      1  -0.486602D+00  0.246758D-01 -0.872278D+00  0.223395D+01 -0.148492D+01
      2   0.731580D+00  0.245798D+01  0.381351D+00  0.738999D+01 -0.361498D+01
      3  -0.219835D+00 -0.390352D+01 -0.213052D+01  0.544887D+01 -0.790864D+01
               156           157           158           159           160 
      1   0.144120D+01 -0.186523D+01  0.162449D+01 -0.233891D+01  0.733091D+00
      2   0.590419D+01 -0.385032D+01  0.412718D+01 -0.471160D+01  0.397230D+01
      3   0.104966D+01 -0.578217D+01  0.705064D+01 -0.194736D+01  0.111707D+01
               161           162           163           164           165 
      1  -0.179269D+00  0.944551D+00 -0.424935D-03 -0.120348D+00 -0.262196D-01
      2  -0.261125D+01  0.197726D+01 -0.248826D+01 -0.172137D+00  0.840312D+00
      3  -0.329944D+01  0.188669D+01  0.778371D+00 -0.120867D+01  0.457656D-01
               166           167           168           169           170 
      1  -0.363419D+00 -0.319641D+00 -0.267384D+00  0.211769D+00  0.375976D+01
      2  -0.329799D+00 -0.147624D+01 -0.104016D+01  0.221382D-02 -0.203112D+00
      3  -0.691426D+00 -0.730853D+00  0.201993D+01  0.286576D+00  0.320614D+01
               171 
      1  -0.119984D+01
      2  -0.245957D+02
      3   0.806258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.228492D+01  0.172806D+02 -0.185007D+02  0.216967D+02 -0.219598D+02
      2  -0.430781D+01 -0.691296D+01  0.805253D+01 -0.103515D+02  0.559783D+01
      3   0.659273D+01 -0.103676D+02  0.104482D+02 -0.113452D+02  0.163620D+02
      4   0.213944D+02 -0.179743D+02  0.258428D+01 -0.269136D+02 -0.152192D+02
      5  -0.187692D+02 -0.632852D+00  0.439786D+01 -0.157976D+01 -0.857442D+01
      6  -0.507564D+00  0.178540D+01 -0.128000D+00  0.179097D+01  0.396204D+01
                 6             7             8             9            10 
      1   0.977465D+00 -0.225703D+02  0.279560D+01  0.984505D+01 -0.865833D+01
      2   0.110190D+00  0.702411D+01 -0.652185D+00  0.109506D+02 -0.327743D+00
      3  -0.108766D+01  0.155462D+02 -0.214341D+01 -0.207957D+02  0.898608D+01
      4  -0.100938D+02  0.528421D+01 -0.120830D+02  0.298958D+01 -0.844512D+01
      5   0.150221D+01 -0.181521D+00  0.146601D+01  0.339542D+02  0.125158D+02
      6   0.142830D+01  0.748605D+00  0.160733D+01 -0.533974D+01 -0.547386D+01
                11            12            13            14            15 
      1  -0.511837D+01  0.113275D+02 -0.639940D+01  0.149474D+02  0.381264D+01
      2   0.100091D+01 -0.810079D+01  0.292336D+01 -0.183599D+02 -0.687636D+01
      3   0.411747D+01 -0.322671D+01  0.347605D+01  0.341250D+01  0.306372D+01
      4   0.646190D+01 -0.230424D+01  0.173400D+02  0.678990D+01  0.557870D+01
      5   0.866974D+00 -0.461759D+00  0.270294D+01  0.565635D+01  0.208480D+01
      6   0.281055D-02  0.116212D+00  0.111284D+01 -0.867829D+01  0.269256D+01
                16            17            18            19            20 
      1   0.156038D+02  0.277301D+01  0.448726D+01 -0.149711D+02 -0.149570D+01
      2  -0.744800D+01 -0.346229D+01 -0.174779D+01  0.179276D+02  0.686305D+00
      3  -0.815584D+01  0.689286D+00 -0.273947D+01 -0.295650D+01  0.809391D+00
      4  -0.335816D+01  0.505510D+01  0.164083D+01  0.516802D+01  0.201125D+01
      5  -0.468072D+00  0.268127D+01 -0.144431D+02  0.443982D+01 -0.314441D+00
      6  -0.721083D+00 -0.242484D+01  0.213269D+01  0.432667D+01 -0.439905D+00
                21            22            23            24            25 
      1   0.205686D+01 -0.295910D+01  0.210049D+00  0.436676D+01 -0.869913D+01
      2  -0.352662D-02  0.104052D+01 -0.379542D+01 -0.258063D+01  0.286646D+01
      3  -0.205333D+01  0.191858D+01  0.358537D+01 -0.178613D+01  0.583267D+01
      4   0.214721D+01 -0.123368D+02  0.175952D+01  0.441222D-01  0.490810D+00
      5  -0.857329D-01  0.334256D+01  0.746098D+00 -0.144916D+00  0.115522D+01
      6   0.123274D+00 -0.237117D+00  0.174097D+01 -0.443010D+01 -0.166706D+01
                26            27            28            29            30 
      1   0.135426D+01  0.106843D+02  0.923135D+01  0.107390D+02 -0.287933D+01
      2  -0.480440D+01  0.127892D+02 -0.108263D+02 -0.907844D+01 -0.201459D+01
      3   0.345014D+01 -0.234735D+02  0.159494D+01 -0.166059D+01  0.489392D+01
      4  -0.136232D+01 -0.413212D+00  0.173929D+01 -0.998965D+01 -0.859694D+01
      5  -0.169977D+01  0.239791D+01 -0.636756D+01 -0.916815D+01 -0.912635D+01
      6   0.137845D+01  0.497982D+01 -0.698409D+01 -0.212279D+01 -0.336519D+01
                31            32            33            34            35 
      1  -0.265100D+01  0.502348D+01  0.824753D+00 -0.805234D+01 -0.653448D+01
      2  -0.329826D+01 -0.137865D+02  0.635962D+01  0.237652D+01 -0.156247D+01
      3   0.594926D+01  0.876297D+01 -0.718438D+01  0.567582D+01  0.809694D+01
      4  -0.191659D+02 -0.209229D+02 -0.511238D+01 -0.169298D+02 -0.210447D+01
      5  -0.174818D+02 -0.763886D+01 -0.103654D+02 -0.413853D+01 -0.314302D+01
      6  -0.250984D+01 -0.935410D+01 -0.636210D+01  0.390206D+00 -0.314190D+00
                36            37            38            39            40 
      1  -0.209970D+01 -0.191626D+02 -0.148235D+02  0.660289D+01 -0.231758D+02
      2  -0.240087D+00  0.123606D+02  0.705756D+01 -0.869344D+00  0.126687D+02
      3   0.233978D+01  0.680198D+01  0.776598D+01 -0.573354D+01  0.105072D+02
      4  -0.217036D+01 -0.198037D+02  0.749534D+01  0.628908D+01  0.106005D+02
      5   0.362355D+01  0.842099D+01  0.632443D+01  0.339049D+01  0.122907D+02
      6  -0.738799D+01  0.553849D+01 -0.267274D+00 -0.372555D+01 -0.135556D+01
                41            42            43            44            45 
      1  -0.227571D+01  0.424014D+01  0.702181D+01  0.241514D+01 -0.474394D+01
      2   0.670612D+01 -0.481114D+01 -0.321346D+01 -0.141571D+01 -0.671819D+01
      3  -0.443041D+01  0.570996D+00 -0.380836D+01 -0.999430D+00  0.114621D+02
      4  -0.145835D+02 -0.487467D+01  0.879354D+01 -0.485539D+01 -0.753320D+01
      5  -0.292286D+01 -0.829883D+01  0.769315D+01 -0.683255D+01 -0.146379D+02
      6   0.403377D+01  0.619684D+01 -0.384650D+01  0.551022D+01  0.361766D+01
                46            47            48            49            50 
      1   0.121862D+02  0.820081D+01 -0.115366D+02  0.710013D+01 -0.318999D+01
      2  -0.151523D+01 -0.211264D+00  0.416388D+01 -0.143959D+00  0.970054D+01
      3  -0.106709D+02 -0.798954D+01  0.737274D+01 -0.695617D+01 -0.651055D+01
      4   0.686811D+01 -0.147994D+02  0.861499D+01 -0.162370D+02 -0.660708D+00
      5  -0.544833D+01  0.107185D+02 -0.122499D+02  0.940060D+01 -0.191407D+02
      6   0.166077D+02 -0.106359D+02 -0.124920D+01 -0.121856D+02 -0.325100D+01
                51            52            53            54            55 
      1   0.148538D+01 -0.935890D+01  0.287859D-01 -0.768148D+01  0.116203D+02
      2   0.419973D+01  0.254692D+01  0.361613D+01 -0.567067D+01 -0.109673D+02
      3  -0.568511D+01  0.681198D+01 -0.364491D+01  0.133521D+02 -0.652961D+00
      4  -0.124900D+02  0.655219D+01 -0.877694D+01 -0.146541D+01  0.682661D+01
      5  -0.656909D+00 -0.119252D+02 -0.227651D+01  0.990571D+01 -0.254712D+01
      6  -0.144863D+02 -0.483132D+00 -0.103060D+02 -0.225153D+01  0.414508D+01
                56            57            58            59            60 
      1  -0.112329D+02  0.806668D+00 -0.732051D+01 -0.100521D+02 -0.398745D+01
      2   0.188075D+02 -0.337564D+01  0.143894D+02  0.170201D+02  0.613451D+01
      3  -0.757469D+01  0.256898D+01 -0.706884D+01 -0.696798D+01 -0.214707D+01
      4  -0.445332D+01  0.327196D+01  0.257184D+01  0.135673D+02 -0.383192D+01
      5   0.252161D+01  0.223133D+01  0.284370D+00 -0.307666D+01  0.164491D+01
      6  -0.636862D+01  0.951606D+01 -0.586195D+01  0.579562D+01  0.121671D+01
                61            62            63            64            65 
      1   0.374597D+01 -0.787774D+00  0.276165D+01  0.161222D+02  0.650780D+01
      2  -0.436546D+01  0.553678D+01 -0.550341D+01 -0.587436D+01  0.935795D+00
      3   0.619498D+00 -0.474901D+01  0.274176D+01 -0.102479D+02 -0.744360D+01
      4   0.419487D+01 -0.321127D+01  0.811375D+01  0.176391D+02  0.195211D+02
      5   0.268018D+01  0.301367D+01 -0.101427D+01  0.134858D+02  0.893694D+01
      6   0.932737D+01 -0.321577D+01 -0.124228D+02  0.567373D+01  0.449764D+01
                66            67            68            69            70 
      1   0.368765D+01  0.999748D+01 -0.133479D+02 -0.535550D+01  0.750168D+01
      2  -0.352017D+01  0.361396D+00  0.302868D+02  0.181628D+01 -0.402373D+01
      3  -0.167480D+00 -0.103589D+02 -0.169389D+02  0.353922D+01 -0.347795D+01
      4   0.801738D+01  0.279982D+02  0.402308D+02  0.110044D+02  0.982356D+01
      5   0.147180D+02  0.117269D+02  0.140058D+02  0.149405D+02  0.153382D+02
      6   0.566287D+01  0.663069D+01  0.148002D+02  0.150725D+02  0.608389D+01
                71            72            73            74            75 
      1  -0.190096D+01 -0.539254D+01  0.158767D+01 -0.136113D+00 -0.476522D+00
      2   0.147641D+01 -0.303646D+01 -0.506190D+01  0.302625D+00  0.496229D+00
      3   0.424548D+00  0.842900D+01  0.347423D+01 -0.166512D+00 -0.197064D-01
      4   0.870891D+01  0.120298D+02 -0.711912D+00  0.124669D+01 -0.121512D+01
      5   0.130319D+02  0.169940D+02 -0.146690D+01 -0.500095D+00  0.620281D+01
      6   0.135935D+02  0.113681D+02 -0.141522D+01  0.120300D+00  0.418100D+00
                76            77            78            79            80 
      1   0.104344D+01 -0.406631D+01  0.130169D+00  0.145877D+01  0.297408D+01
      2   0.418207D+00  0.652741D+00 -0.131091D+01  0.783653D+00 -0.128324D+01
      3  -0.146165D+01  0.341357D+01  0.118074D+01 -0.224243D+01 -0.169084D+01
      4   0.272284D+01 -0.226266D+00 -0.143400D+00 -0.140791D+00  0.641531D+00
      5   0.528619D-01 -0.470698D+00 -0.225831D+00  0.545195D+01  0.660456D+00
      6   0.184082D+00 -0.105976D+01  0.697482D+01  0.366748D+00  0.518097D+01
                81            82            83            84            85 
      1  -0.203099D+02 -0.667356D+00 -0.267051D+01 -0.229779D+01 -0.426561D+01
      2  -0.167340D+02  0.376014D+01  0.322097D+01  0.196458D+01  0.412201D+01
      3   0.370439D+02 -0.309278D+01 -0.550462D+00  0.333211D+00  0.143599D+00
      4  -0.154987D+00  0.131778D+00  0.345410D+01  0.985400D+00  0.224893D+01
      5  -0.527887D+00 -0.173913D+01  0.682539D+00  0.106827D+01  0.991370D+00
      6  -0.726773D+01  0.197803D+01  0.106110D+01  0.623490D+00  0.708120D+00
                86            87            88            89            90 
      1  -0.181167D+02 -0.290567D+01 -0.359380D+01 -0.424097D+01 -0.520918D+01
      2   0.289400D+02  0.611654D+01  0.217598D+01  0.461370D+01  0.339040D+01
      3  -0.108233D+02 -0.321087D+01  0.141782D+01 -0.372730D+00  0.181878D+01
      4  -0.114376D+02 -0.305073D+01  0.372872D+00 -0.311987D+01 -0.227624D+01
      5  -0.315909D+01 -0.411213D+01  0.218896D+01 -0.266779D+01 -0.670885D+00
      6   0.901858D+01  0.660624D+01  0.109046D+01  0.833122D+01  0.482919D+01
                91            92            93            94            95 
      1   0.506010D+02  0.561464D+01 -0.131255D+02  0.194807D+02  0.658048D+01
      2  -0.287609D+02 -0.360329D+01  0.883583D+01 -0.107893D+02 -0.308788D+01
      3  -0.218402D+02 -0.201135D+01  0.428969D+01 -0.869140D+01 -0.349260D+01
      4   0.532137D+01  0.665872D+01 -0.127055D+01  0.104804D+02  0.437529D+01
      5  -0.196591D+02 -0.163355D+01  0.114424D+02 -0.900924D+01 -0.398481D+01
      6  -0.311383D+01 -0.106091D+01  0.124938D+01 -0.381415D+01 -0.196940D+01
                96            97            98            99           100 
      1  -0.586391D+01 -0.563567D+01 -0.375755D+00  0.598496D+01 -0.281468D+01
      2   0.376401D+01  0.504925D+01  0.548028D+00 -0.541107D+01  0.868718D+01
      3   0.209990D+01  0.586423D+00 -0.172273D+00 -0.573886D+00 -0.587251D+01
      4  -0.374041D+01 -0.871093D+00 -0.199688D+01  0.789605D+00 -0.929645D+01
      5   0.517244D+01  0.109793D+02  0.122696D+01 -0.759498D+01  0.323722D+01
      6   0.235801D+01  0.863108D+00  0.131557D+01 -0.978136D+00 -0.631062D+01
               101           102           103           104           105 
      1   0.803592D+01 -0.250248D+01  0.673198D+01 -0.143985D+02  0.437986D+01
      2  -0.157990D+02  0.414382D+01 -0.125439D+02  0.260034D+02 -0.736330D+01
      3   0.776306D+01 -0.164134D+01  0.581191D+01 -0.116049D+02  0.298344D+01
      4   0.138983D+02 -0.534514D+01  0.116499D+02 -0.130272D+02  0.447488D+01
      5  -0.324291D+01  0.331942D+01 -0.175074D+01  0.298313D+01 -0.161677D+01
      6   0.794880D+01 -0.615635D+01  0.618031D+01 -0.109084D+02  0.767876D+01
               106           107           108           109           110 
      1  -0.401955D+01  0.680042D+01 -0.568986D+01 -0.142208D+01  0.159162D+01
      2   0.521309D+01 -0.932967D+01  0.546438D+01  0.174483D+01 -0.185432D+01
      3  -0.119355D+01  0.252925D+01  0.225479D+00 -0.322759D+00  0.262700D+00
      4  -0.616283D+01  0.610713D+01 -0.533481D+01  0.285148D+00  0.332525D+01
      5   0.331611D+01 -0.281061D+01  0.269334D+01 -0.945251D+00 -0.851849D-01
      6  -0.671968D+01  0.111236D+02 -0.789139D+01  0.930907D+00 -0.178237D+01
               111           112           113           114           115 
      1   0.150464D+01  0.104074D+01 -0.364664D+01 -0.281848D+01  0.117774D+01
      2  -0.949297D+00 -0.103621D+01  0.482258D+01  0.343055D+01 -0.150042D+01
      3  -0.555347D+00 -0.453333D-02 -0.117594D+01 -0.612068D+00  0.322680D+00
      4   0.104373D+01  0.291950D+01 -0.113255D+01 -0.101697D+01  0.325575D+01
      5   0.180448D+01  0.241032D-01 -0.199140D+00 -0.367519D+00  0.143451D+01
      6  -0.345654D+01 -0.126577D+01  0.351067D+01  0.647035D+01 -0.325916D+01
               116           117           118           119           120 
      1  -0.619297D+01 -0.819776D+01  0.219156D+01  0.192516D+01  0.194367D+01
      2   0.772276D+01  0.195180D+01 -0.340535D+01 -0.259465D+01 -0.372140D+01
      3  -0.152979D+01  0.624596D+01  0.121379D+01  0.669486D+00  0.177772D+01
      4  -0.194916D+01 -0.305649D+01  0.333453D+01  0.659567D+01  0.155253D+01
      5  -0.997866D+00 -0.105346D+01  0.628682D+01  0.396905D+01  0.831142D+01
      6   0.832027D+01  0.206796D+02  0.193886D+01  0.517537D+01  0.217011D+01
               121           122           123           124           125 
      1   0.330630D+01 -0.312151D+01 -0.516863D+01  0.857697D+00 -0.311362D+01
      2  -0.420561D+01 -0.136800D+01 -0.696751D+01 -0.265772D+01 -0.411354D+01
      3   0.899311D+00  0.448951D+01  0.121361D+02  0.180002D+01  0.722716D+01
      4   0.630237D+01  0.124572D+02  0.730674D+01  0.820521D+00  0.490584D+01
      5   0.698169D+01  0.106624D+02  0.110076D+02  0.629221D+01  0.592959D+01
      6   0.560851D+01  0.173093D+02  0.108461D+02  0.227314D+01  0.100166D+02
               126           127           128           129           130 
      1  -0.452993D+01 -0.950401D+01 -0.587023D+01  0.130757D+02 -0.486194D+01
      2  -0.544225D+01  0.830606D+00  0.252962D+01  0.191367D+01  0.261272D+01
      3   0.997218D+01  0.867341D+01  0.334061D+01 -0.149893D+02  0.224922D+01
      4   0.449386D+01  0.594503D+01  0.353654D+01 -0.326396D+01  0.451434D+01
      5   0.760278D+01 -0.131367D+02 -0.380157D+01  0.570846D+01 -0.406403D+01
      6   0.717901D+01 -0.744626D+01 -0.588229D+01  0.750598D+01 -0.366045D+01
               131           132           133           134           135 
      1  -0.495361D+01  0.451900D+01  0.893619D+01  0.391913D+01 -0.108424D+02
      2   0.238108D+01 -0.138742D+01  0.133687D+01 -0.802369D+00 -0.334506D+01
      3   0.257253D+01 -0.313158D+01 -0.102731D+02 -0.311676D+01  0.141874D+02
      4   0.142940D+01  0.545661D+00 -0.238290D+01  0.342599D-01  0.227478D+01
      5   0.979622D-01  0.886213D+00  0.773152D+01  0.155203D+01 -0.478056D+01
      6  -0.479097D+01  0.739264D+01  0.479479D+01  0.613507D+01 -0.606038D+01
               136           137           138           139           140 
      1   0.119391D+02 -0.470778D+01  0.228819D+01 -0.508330D+01 -0.210958D+01
      2  -0.701966D+01  0.203922D+00 -0.541507D+01 -0.174406D+00  0.618251D+01
      3  -0.491944D+01  0.450386D+01  0.312688D+01  0.525770D+01 -0.407293D+01
      4  -0.166947D+02  0.150495D+02 -0.885227D+01  0.158248D+02 -0.171180D+02
      5   0.192639D+02 -0.122538D+02  0.161194D+02 -0.129343D+02  0.134890D+02
      6  -0.116855D+02  0.114517D+02 -0.864735D+01  0.111251D+02 -0.155587D+02
               141           142           143           144           145 
      1   0.312889D+01  0.132584D+01  0.207063D+01 -0.158997D+01  0.102811D+02
      2   0.330466D+00 -0.392555D+01  0.110702D+01 -0.388874D+01 -0.205885D+01
      3  -0.345935D+01  0.259971D+01 -0.317766D+01  0.547871D+01 -0.822229D+01
      4   0.980304D+01 -0.538361D+01  0.618597D+01 -0.713161D+01  0.762343D+01
      5  -0.107811D+02  0.119762D+02 -0.776047D+01  0.107304D+02  0.191223D+01
      6   0.133223D+02 -0.648459D+01  0.986292D+01 -0.893477D+01 -0.594385D+00
               146           147           148           149           150 
      1   0.704622D+01  0.292988D+01  0.153798D+02  0.886099D+01  0.485655D-01
      2  -0.180420D+01 -0.928691D+00 -0.519270D+01  0.551549D+01  0.183950D+01
      3  -0.524203D+01 -0.200119D+01 -0.101871D+02 -0.143765D+02 -0.188806D+01
      4   0.132691D+02  0.113414D+01  0.180889D+02  0.329393D+02  0.338265D+01
      5   0.256480D+00  0.208535D+01 -0.198921D+01  0.323575D+01  0.805381D+01
      6  -0.156447D+01  0.299931D+00 -0.162413D+01 -0.459040D+01  0.212516D+01
               151           152           153           154           155 
      1   0.772806D+01  0.147987D+01 -0.366927D-01  0.502083D+02 -0.181074D+02
      2  -0.292969D+01  0.619090D+00 -0.130248D+01 -0.208704D+02  0.579161D+01
      3  -0.479837D+01 -0.209896D+01  0.133917D+01 -0.293380D+02  0.123157D+02
      4   0.231512D+01  0.641885D+01  0.455125D+01 -0.249379D+02  0.185145D+02
      5   0.376525D+01  0.509714D+01 -0.308368D+00  0.222830D+01 -0.883758D+00
      6   0.127748D+01  0.246195D+01  0.102988D+01  0.171511D+01 -0.179247D+01
               156           157           158           159           160 
      1   0.671962D+01 -0.268156D+02  0.140994D+02 -0.206254D+01  0.161898D+02
      2  -0.212866D+01  0.899640D+01 -0.120180D+00 -0.561577D+00 -0.652637D+01
      3  -0.459096D+01  0.178192D+02 -0.139792D+02  0.262412D+01 -0.966338D+01
      4  -0.302945D+01  0.246200D+02 -0.191565D+02  0.421597D+01 -0.727108D+01
      5   0.795314D+01  0.355222D+00  0.243210D+01 -0.722536D+01  0.843127D+01
      6  -0.125370D+01 -0.181153D+01  0.922149D+00  0.235855D+01 -0.170233D+01
               161           162           163           164           165 
      1  -0.406513D+01  0.475954D+01  0.153971D+01 -0.179167D+01 -0.500139D+01
      2   0.717468D+00 -0.379243D+01 -0.332697D+01  0.827398D+00  0.314520D+01
      3   0.334766D+01 -0.967107D+00  0.178725D+01  0.964274D+00  0.185620D+01
      4   0.687878D+01 -0.544235D+01 -0.164617D+01  0.270502D+01  0.166755D+00
      5  -0.486620D+01  0.233698D+01 -0.424440D+01  0.169519D+00  0.743494D+01
      6   0.173409D+01 -0.989663D+00  0.676767D+00 -0.126076D+00  0.296484D+00
               166           167           168           169           170 
      1  -0.273890D+01  0.498987D+00 -0.103797D+01 -0.792908D+01 -0.685797D+00
      2   0.119089D+01 -0.125625D+01  0.330497D+00  0.890609D+01  0.181958D+00
      3   0.154801D+01  0.757264D+00  0.707477D+00 -0.977006D+00  0.503839D+00
      4   0.528847D+01  0.676480D+00 -0.453477D+01  0.596816D+00 -0.547701D+01
      5   0.655720D+00 -0.414141D+01 -0.149767D+01  0.167970D+02 -0.863508D+00
      6  -0.154744D+01  0.997597D+00  0.680265D+01 -0.159150D+01  0.621534D+01
               171 
      1  -0.117088D+02
      2  -0.212231D+02
      3   0.329318D+02
      4  -0.190476D+01
      5  -0.477404D+02
      6   0.563804D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.797693D+02      0.118206D+02      0.131522D+02
   aniso      0.144258D+02      0.213768D+01      0.237849D+01
   xx         0.885177D+02      0.131170D+02      0.145946D+02
   yx         0.740756D+00      0.109769D+00      0.122134D+00
   yy         0.765263D+02      0.113400D+02      0.126175D+02
   zx        -0.253282D+01     -0.375325D+00     -0.417606D+00
   zy         0.192979D+01      0.285965D+00      0.318179D+00
   zz         0.742640D+02      0.110048D+02      0.122445D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.797693D+02      0.118206D+02      0.131522D+02
   aniso      0.144258D+02      0.213768D+01      0.237849D+01
   xx         0.854801D+02      0.126668D+02      0.140938D+02
   yx         0.439121D+01      0.650711D+00      0.724013D+00
   yy         0.744343D+02      0.110300D+02      0.122726D+02
   zx        -0.437990D+01     -0.649034D+00     -0.722148D+00
   zy        -0.541608D+00     -0.802581D-01     -0.892991D-01
   zz         0.793936D+02      0.117649D+02      0.130902D+02

 ----------------------------------------------------------------------
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 A politician is a person who can make waves and then
 make you think he's the only one who can save the ship.
 -- Ivern Ball
 Job cpu time:       0 days  1 hours  8 minutes 25.4 seconds.
 Elapsed time:       0 days  0 hours  8 minutes 35.4 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:40:37 2021.
